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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | ACR | P10323 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL9702153 | 0.93 | CYP2D6 (0.42) | PRSS1ACRMAPTCYP2D6CYP1A2 | |
| SCHEMBL9703262 | 0.87 | KMT2A (0.45) | KMT2ACYP2D6CYP1A2CA1CA2 | |
| SCHEMBL9703355 | 0.85 | ALDH1A1 (0.46) | PRSS1ACRKMT2AMAPTTP53 | |
| SCHEMBL9700915 | 0.80 | ALDH1A1 (0.38) | KMT2ACYP1A2CES2CES1HTT | |
| 1,4-Dichlorobenzene SCHEMBL29046429 | 0.78 | LMNA (0.53) | PRSS1ACRKMT2AMAPTTP53 | |
| SCHEMBL5314183 | 0.78 | LMNA (0.53) | PRSS1ACRKMT2AMAPTTP53 | |
| SCHEMBL6628856 | 0.76 | PRSS1 (0.58) | PRSS1ACRKMT2AMAPTTP53 | |
| SCHEMBL9701660 | 0.74 | ALDH1A1 (0.43) | KMT2AMAPTTP53HTTCA1 | |
| 4-Chloroaniline SCHEMBL2779349 | 0.74 | ALDH1A1 (0.64) | PRSS1ACRKMT2AMAPTTP53 | |
| SCHEMBL31542388 | 0.73 | CNR2 (0.55) | KMT2AMAPTTP53CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5120764-A | Administering penicillamine and allenylamines to inhibit crosslinking of collagen | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-06-09 | — | — | US | disclosed |