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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | TLR2 | O60603 | 1/20 | 0.32 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.32 |
| ▸ | KLK7 | P49862 | 1/20 | 0.31 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7963546 | 0.96 | ALDH1A1 (0.39) | ALDH1A1TSHRBCHEACHEKDM4E | |
| SCHEMBL7973805 | 0.88 | CA12 (0.33) | CA1CA2 | |
| SCHEMBL7963520 | 0.88 | CA12 (0.33) | CA1CA2 | |
| SCHEMBL7977315 | 0.74 | ALDH1A1 (0.61) | ALDH1A1TSHRKDM4EMAPTTDP1 | |
| SCHEMBL7963484 | 0.74 | ALDH1A1 (0.61) | ALDH1A1TSHRKDM4EMAPTTDP1 | |
| SCHEMBL7963488 | 0.72 | ALDH1A1 (0.51) | ALDH1A1TSHRKDM4EMAPTTDP1 | |
| SCHEMBL7973821 | 0.71 | ALDH1A1 (0.39) | ALDH1A1TSHRKDM4EMAPTTDP1 | |
| SCHEMBL7973760 | 0.69 | BCHE (0.38) | BCHEACHETDP1ITGB3ITGA2B | |
| SCHEMBL7963487 | 0.66 | CA12 (0.41) | ALDH1A1KDM4EMAPTNPSR1CA1 | |
| SCHEMBL7974865 | 0.66 | CA12 (0.41) | ALDH1A1KDM4EMAPTNPSR1CA1 |
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 | disclosed |