Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.34 |
| ▸ | ALB | P02768 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 9/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7977308 | 0.89 | NOD1 (0.41) | NOD1ALBFOLH1FNTAFNTB | |
| SCHEMBL7975044 | 0.75 | NOD1 (0.43) | NOD1ALBFOLH1FNTAFNTB | |
| SCHEMBL7974901 | 0.75 | EPHX2 (0.32) | ALDH1A1TSHRTGM2ITGB3ITGA2B | |
| SCHEMBL7963484 | 0.73 | ALDH1A1 (0.61) | ALDH1A1TSHRTGM2ITGB3ITGA2B | |
| SCHEMBL7977315 | 0.73 | ALDH1A1 (0.61) | ALDH1A1TSHRTGM2ITGB3ITGA2B | |
| SCHEMBL7973789 | 0.73 | FOLH1 (0.41) | NOD1ALBFOLH1TGM2FNTA | |
| SCHEMBL7973780 | 0.73 | FOLH1 (0.41) | NOD1ALBFOLH1TGM2FNTA | |
| SCHEMBL7963511 | 0.71 | ITGB3 (0.42) | ALDH1A1TSHRALBFOLH1TGM2 | |
| SCHEMBL7963504 | 0.71 | ITGB3 (0.42) | ALDH1A1TSHRALBFOLH1TGM2 | |
| SCHEMBL7977336 | 0.69 | FNTA (0.40) | NOD1FOLH1FNTAFNTB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001005748-A1 | OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | MONSANTO COMPANY (US) | 2001-01-25 | — | — | WO | claimed |