Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isobutane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 5/20 | 0.36 |
| ▸ | NOS1 | P29475 | 5/20 | 0.36 |
| ▸ | NOS2 | P35228 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28067391 | 0.89 | SPHK2 (0.43) | SPHK2SPHK1NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL166054 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL2689253 | 0.89 | — | — | |
| SCHEMBL20985100 | 0.87 | SPHK2 (0.38) | SPHK2SPHK1NOS3NOS1NOS2 | |
| SCHEMBL12181 | 0.86 | — | — | |
| Iodide SCHEMBL30575029 | 0.82 | — | — | |
| Hydrazine SCHEMBL10430760 | 0.82 | — | — | |
| Water SCHEMBL30816099 | 0.82 | — | — | |
| SCHEMBL21351628 | 0.73 | — | — | |
| Bicarbonate SCHEMBL6620515 | 0.73 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2459607-B1 | HYBRID COPOLYMER COMPOSITIONS FOR PERSONAL CARE APPLICATIONS | NOURYON CHEMICALS INT BV (NL) | 2021-04-14 | — | — | EP | disclosed |
| EP-2459606-B1 | HYBRID COPOLYMER COMPOSITIONS | NOURYON CHEMICALS INT BV (NL) | 2020-10-21 | — | — | EP | disclosed |
| US-9988526-B2 | Hybrid dendrite copolymers, compositions thereof and methods for producing the same | AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) | 2018-06-05 | — | — | US | disclosed |
| US-9321873-B2 | Hybrid copolymer compositions for personal care applications | AKZO NOBEL N.V. (NL) | 2016-04-26 | — | — | US | disclosed |
| EP-2773320-B1 | HYBRID DENDRITE COPOLYMERS, COMPOSITIONS THEREOF AND METHODS FOR PRODUCING THE SAME | AKZO NOBEL CHEMICALS INT BV (NL) | 2016-02-03 | — | — | EP | disclosed |
| US-9109068-B2 | Hybrid copolymer compositions | AKZO NOBEL N.V. (NL) | 2015-08-18 | — | — | US | disclosed |
| US-20140256880-A1 | Hybrid dendrite copolymers, compositions thereof and methods for producing the same | NOURYON CHEMICALS INTERNATIONAL B.V. (NL) | 2014-09-11 | — | — | US | disclosed |
| EP-2773320-A1 | HYBRID DENDRITE COPOLYMERS, COMPOSITIONS THEREOF AND METHODS FOR PRODUCING THE SAME | Akzo Nobel Chemicals International B.V. (NL) | 2014-09-10 | — | — | EP | disclosed |
| US-20130292611-A1 | HYBRID MIXTURES FOR GAS HYDRATE INHIBITION APPLICATIONS | AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) | 2013-11-07 | — | — | US | disclosed |
| EP-2658945-A1 | HYBRID MIXTURES FOR GAS HYDRATE INHIBITION APPLICATIONS | Akzo Nobel Chemicals International B.V. (NL) | 2013-11-06 | — | — | EP | disclosed |
| WO-2013064647-A1 | HYBRID DENDRITE COPOLYMERS, COMPOSITIONS THEREOF AND METHODS FOR PRODUCING THE SAME | AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) | 2013-05-10 | — | — | WO | disclosed |
| WO-2012089654-A1 | HYBRID MIXTURES FOR GAS HYDRATE INHIBITION APPLICATIONS | AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) | 2012-07-05 | — | — | WO | disclosed |
| EP-2459606-A1 | HYBRID COPOLYMER COMPOSITIONS | Akzo Nobel N.V. (NL) | 2012-06-06 | — | — | EP | disclosed |
| EP-2459607-A1 | HYBRID COPOLYMER COMPOSITIONS FOR PERSONAL CARE APPLICATIONS | Akzo Nobel N.V. (NL) | 2012-06-06 | — | — | EP | disclosed |
| US-20120134942-A1 | Hybrid copolymer compositions for personal care applications | AKZO NOBEL N.V. (NL) | 2012-05-31 | — | — | US | disclosed |
| US-20120128608-A1 | Hybrid copolymer compositions | AKZO NOBEL N.V. (NL) | 2012-05-24 | — | — | US | disclosed |
| WO-2011017223-A1 | HYBRID COPOLYMER COMPOSITIONS FOR PERSONAL CARE APPLICATIONS | AKZO NOBEL N.V. (NL) | 2011-02-10 | — | — | WO | disclosed |
| WO-2011014783-A1 | HYBRID COPOLYMER COMPOSITIONS | AKZO NOBEL N.V. (NL) | 2011-02-03 | — | — | WO | 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 (2 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-20120128608-A1 | Hybrid copolymer compositions | EPHX2, PUF60, ELOVL6 | SPHK2 3833/4885SPHK1 4143/4885NOS3 2029/4885 |
| US-20120134942-A1 | Hybrid copolymer compositions for personal care applications | CUTA, MMS19, POLH | SPHK2 3046/4885SPHK1 3258/4885NOS3 2377/4885 |
“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.