Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Rotraxate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.42 |
| ▸ | ITGB3 known ✓ | P05106 | 2/20 | 0.42 |
| ▸ | ITGA2B known ✓ | P08514 | 2/20 | 0.42 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.42 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.42 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.41 |
| ▸ | KLKB1 known ✓ | P03952 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.64 |
| ▸ | PLG | P00747 | 2/20 | 0.44 |
| ▸ | PLAT | P00750 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Rotraxate SCHEMBL1133035 | 1.00 | F2 (0.64) | F2PLGPLATLMNAFFAR1 | |
| Rotraxate SCHEMBL1652733 | 0.99 | F2 (0.66) | F2PLGPLATLMNAFFAR1 | |
| Rotraxate SCHEMBL7610725 | 0.99 | F2 (0.66) | F2PLGPLATLMNAFFAR1 | |
| Rotraxate SCHEMBL867317 | 0.99 | F2 (0.66) | F2PLGPLATLMNAFFAR1 | |
| Hydrochloric Acid SCHEMBL11133260 | 0.92 | F2 (0.55) | F2PLGPLATLMNAFFAR1 | |
| Hydrochloric Acid SCHEMBL11133261 | 0.92 | F2 (0.55) | F2PLGPLATLMNAFFAR1 | |
| SCHEMBL11131186 | 0.90 | F2 (0.56) | F2PLGPLATLMNAFFAR1 | |
| SCHEMBL11133818 | 0.89 | F2 (0.55) | F2PLGPLATLMNAHTR2A | |
| SCHEMBL28516375 | 0.88 | F2 (0.54) | F2PLGPLATLMNAHTR2A | |
| SCHEMBL28516925 | 0.88 | F2 (0.54) | F2PLGPLATLMNAHTR2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1794192-B1 | PHOTOREACTIVE POLYSACCHARIDE, PHOTOCROSSLINKED POLYSACCHARIDE PRODUCTS, THE METHOD OF MAKING THEM AND MEDICAL MATERIALS MADE THEREFROM | SEIKAGAKU KOGYO CO LTD (JP) | 2016-05-04 | — | — | EP | disclosed |
| US-8222399-B2 | Photoreactive polysaccharide, photocrosslinked polysaccharide product and method of making same and medical materials made from the crosslinked polysaccharide | SEIKAGAKU CORPORATION (JP) | 2012-07-17 | — | — | US | disclosed |
| EP-2287205-A2 | Photoreactive polysaccharide. photocrosslinked polysaccharide products, the method of making them and medical materials made therefrom | SEIKAGAKU CORPORATION (JP) | 2011-02-23 | — | — | EP | disclosed |
| EP-1794192-A1 | PHOTOREACTIVE POLYSACCHARIDE. PHOTOCROSSLINKED POLYSACCHARIDE PRODUCTS, THE METHOD OF MAKING THEM AND MEDICAL MATERIALS MADE THEREFROM | SEIKAGAKU CORPORATION (JP) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006030965-A1 | PHOTOREACTIVE POLYSACCHARIDE, PHOTOCROSSLINKED POLYSACCHARIDE PRODUCTS, THE METHOD OF MAKING THEM AND MEDICAL MATERIALS THEREFROM | SEIKAGAKU CORPORATION (JP) | 2006-03-23 | — | — | WO | disclosed |
| US-20060057098-A1 | PHOTOREACTIVE POLYSACCHARIDE, PHOTOCROSSLINKED POLYSACCHARIDE PRODUCT AND METHOD OF MAKING SAME AND MEDICAL MATERIALS MADE FROM THE CROSSLINKED POLYSACCHARIDE | SEIKAGAKU CORPORATION (JP) | 2006-03-16 | — | — | US | disclosed |
| EP-0667163-B1 | POWDER FOR NASAL ADMINISTRATION OF PEPTIDIC OR PROTEINACEOUS DRUG | TEIJIN LTD (JP) | 2002-04-03 | — | — | EP | disclosed |
| US-5763504-A | PREVENTING CELL AND/OR TISSUE ADHESION WHEN APPLIED TO WOUNDS | SEIKAGAKU KOGYO KABUSHIKI KAISHA(SEIKAGAKU CORPORATION) (JP) | 1998-06-09 | — | — | US | disclosed |
| EP-0554898-B1 | Photocurable glycosaminoglycan derivatives, crosslinked glycosaminoglycans and method of production thereof | SEIKAGAKU KOGYO CO LTD (JP) | 1997-05-07 | — | — | EP | disclosed |
| US-5578324-A | CONTAINING AN ABSORPTION ACCELERANT | TEIJIN LIMITED (JP) | 1996-11-26 | — | — | US | disclosed |
| EP-0667163-A1 | POWDER FOR NASAL ADMINISTRATION OF PEPTIDIC OR PROTEINACEOUS DRUG | TEIJIN LIMITED (JP) | 1995-08-16 | — | — | EP | disclosed |
| EP-0554898-A2 | Photocurable glycosaminoglycan derivatives, crosslinked glycosaminoglycans and method of production thereof | SEIKAGAKU KOGYO KABUSHIKI KAISHA (SEIKAGAKU CORPORATION) (JP) | 1993-08-11 | — | — | EP | disclosed |
| EP-0187703-B1 | SUSTAINED RELEASE PREPARATION | TEIJIN LIMITED (JP) | 1992-08-05 | — | — | EP | disclosed |
| EP-0207638-B1 | SUSTAINED-RELEASE PHARMACEUTICAL PREPARATION | TEIJIN LIMITED (JP) | 1990-12-19 | — | — | EP | disclosed |
| US-4814176-A | CHITIN OR CHITOSAN, ANIONIC POLYMER, DRUG | TEIJIN LTD. (JP) | 1989-03-21 | — | — | US | disclosed |
| US-4755544-A | Sustained release preparation | TEIJIN LIMITED (JP) | 1988-07-05 | — | — | US | disclosed |
| EP-0207638-A2 | Sustained-release pharmaceutical preparation | TEIJIN LIMITED (JP) | 1987-01-07 | — | — | EP | disclosed |
| EP-0187703-A2 | Sustained release preparation | TEIJIN LIMITED (JP) | 1986-07-16 | — | — | EP | disclosed |
| EP-0044541-B1 | AMINOCARBOXYLIC ACIDS, AMINO ALCOHOLS, OR THE DERIVATIVES THEREOF, PROCESSES FOR PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION, CONTAINING AT LEAST ONE OF THESE COMPOUNDS | TEIJIN LIMITED (JP) | 1983-09-21 | — | — | EP | disclosed |
| US-4402975-A | ANTIULCER AGENTS | TEIJIN LIMITED (JP) | 1983-09-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060057098-A1 | PHOTOREACTIVE POLYSACCHARIDE, PHOTOCROSSLINKED POLYSACCHARIDE PRODUCT AND METHOD OF MAKING SAME AND MEDICAL MATERIALS MADE FROM THE CROSSLINKED POLYSACCHARIDE | ALG1, ALG8, CSGALNACT1 | HTR2A 3102/4885ITGB3 1534/4885ITGA2B 1197/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.