Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 8/20 | 0.53 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.53 |
| ▸ | MIF | P14174 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL287315 | 1.00 | P4HTM (0.53) | P4HTMP4HA1MIFKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8045282 | 0.98 | P4HTM (0.52) | P4HTMP4HA1MIFKDM4EALDH1A1 | |
| SCHEMBL1550565 | 0.88 | EGLN1 (0.53) | P4HTMP4HA1MIFKDM4EALDH1A1 | |
| SCHEMBL1550618 | 0.85 | EGLN1 (0.65) | P4HTMP4HA1MIFKDM4EALDH1A1 | |
| SCHEMBL24812334 | 0.82 | EGLN1 (0.43) | KDM4EALDH1A1EGLN1L3MBTL1KMT2A | |
| SCHEMBL10638643 | 0.82 | EGLN1 (0.47) | KDM4EALDH1A1EGLN1L3MBTL1KMT2A | |
| SCHEMBL1061737 | 0.82 | ALDH1A1 (0.45) | KDM4EALDH1A1EGLN1L3MBTL1KMT2A | |
| SCHEMBL2468199 | 0.82 | KMT2A (0.49) | KDM4EALDH1A1EGLN1L3MBTL1KMT2A | |
| SCHEMBL18547170 | 0.82 | P4HTM (0.55) | P4HTMP4HA1MIFKDM4EALDH1A1 | |
| SCHEMBL8238126 | 0.81 | PARP15 (0.51) | P4HTMP4HA1MIFKDM4EALDH1A1 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9758513-B2 | Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2017-09-12 | — | — | US | disclosed |
| US-20170073337-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-03-16 | — | — | US | disclosed |
| EP-3129370-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | Shionogi & Co., Ltd. (JP) | 2017-02-15 | — | — | EP | disclosed |
| US-20170008881-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2017-01-12 | — | — | US | disclosed |
| US-9540359-B2 | Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2017-01-10 | — | — | US | disclosed |
| WO-2015156421-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-10-15 | — | — | WO | disclosed |
| US-20150266865-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-09-24 | — | — | US | disclosed |
| EP-2912035-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | Shionogi & Co., Ltd. (JP) | 2015-09-02 | — | — | EP | disclosed |
| US-9018219-B2 | Fused aminodihydropyrimidine derivative | SHIONOGI & CO., LTD. (JP) | 2015-04-28 | — | — | US | disclosed |
| US-8927721-B2 | Naphthyridine derivative | SHIONOGI & CO., LTD. (JP) | 2015-01-06 | — | — | US | disclosed |
| US-20140051691-A1 | OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM | SHIONOGI & CO., LTD. (JP) | 2014-02-20 | — | — | US | disclosed |
| EP-2634188-A1 | FUSED AMINODIHYDROPYRIMIDINE DERIVATIVE | Shionogi&Co., Ltd. (JP) | 2013-09-04 | — | — | EP | disclosed |
| EP-2634186-A1 | NAPHTHYRIDINE DERIVATIVE | Shionogi&Co., Ltd. (JP) | 2013-09-04 | — | — | EP | disclosed |
| US-20130217705-A1 | NAPHTHYRIDINE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2013-08-22 | — | — | US | disclosed |
| US-20130210839-A1 | FUSED AMINODIHYDROPYRIMIDINE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2013-08-15 | — | — | US | disclosed |
| EP-2514747-A1 | SUBSTITUTED AMINOTHIAZINE DERIVATIVE | Shionogi&Co., Ltd. (JP) | 2012-10-24 | — | — | EP | disclosed |
| EP-2511269-A1 | FUSED HETEROCYCLIC COMPOUND HAVING AMINO GROUP | Shionogi & Co., Ltd. (JP) | 2012-10-17 | — | — | EP | disclosed |
| US-20120245155-A1 | FUSED HETEROCYCLIC COMPOUND HAVING AMINO GROUP | SHIONOGI & CO., LTD. (JP) | 2012-09-27 | — | — | US | disclosed |
| EP-2415756-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | Shionogi&Co., Ltd. (JP) | 2012-02-08 | — | — | EP | disclosed |
| US-20120015961-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-01-19 | — | — | 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 (8 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-20120015961-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | BACE1, BACE2, APP | MEN1 3671/4885P4HTM 3198/4885P4HA1 2383/4885 |
| US-20170073337-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | BACE1, BACE2, APP | MEN1 3863/4885P4HTM 995/4885P4HA1 431/4885 |
| US-20130210839-A1 | FUSED AMINODIHYDROPYRIMIDINE DERIVATIVE | BACE1, BACE2, APP | MEN1 3802/4885P4HTM 939/4885P4HA1 1003/4885 |
| US-20130217705-A1 | NAPHTHYRIDINE DERIVATIVE | BACE1, BACE2, APP | MEN1 3311/4885P4HTM 2614/4885P4HA1 1709/4885 |
| US-20120245155-A1 | FUSED HETEROCYCLIC COMPOUND HAVING AMINO GROUP | APP, IAPP, BACE1 | MEN1 561/4885P4HTM 1964/4885P4HA1 2346/4885 |
| US-20150266865-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | BACE1, APP, BACE2 | MEN1 3356/4885P4HTM 1821/4885P4HA1 797/4885 |
| US-20170008881-A1 | DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | BACE1, APP, BACE2 | MEN1 3356/4885P4HTM 1821/4885P4HA1 797/4885 |
| US-20140051691-A1 | OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM | BACE1, BACE2, APP | MEN1 3249/4885P4HTM 2700/4885P4HA1 619/4885 |
“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.