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 | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7931631 | 0.94 | ALDH1A1 (0.59) | PKMALDH1A1MAPTLMNACYP1A2 | |
| SCHEMBL19272432 | 0.81 | ACHE (0.69) | PKMALDH1A1MAPTHPGDACHE | |
| 4-Nitrotoluene SCHEMBL6481181 | 0.75 | ACHE (0.60) | PKMALDH1A1LMNACYP2D6SMN1; SMN2 | |
| SCHEMBL6321125 | 0.74 | ACHE (0.47) | PKMALDH1A1MAPTLMNACYP1A2 | |
| 4-Nitroaniline SCHEMBL8400816 | 0.74 | ALDH1A1 (0.58) | PKMALDH1A1MAPTACHEHSD17B10 | |
| Nitrobenzene SCHEMBL660753 | 0.73 | ACHE (0.57) | PKMALDH1A1MAPTLMNACYP1A2 | |
| SCHEMBL7924997 | 0.73 | LMNA (0.52) | ALDH1A1MAPTLMNACYP3A4CYP2C9 | |
| SCHEMBL7937531 | 0.73 | ALDH1A1 (0.51) | PKMALDH1A1MAPTLMNACYP1A2 | |
| P-Nitrophenol SCHEMBL9470520 | 0.73 | ACHE (0.56) | PKMALDH1A1MAPTLMNAHPGD | |
| 4-Nitrotoluene SCHEMBL27415361 | 0.72 | ACHE (0.78) | PKMALDH1A1MAPTACHEHSD17B10 |
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-6242478-B1 | ANTICARCINOGENIC AGENTS; REPLICATION INHIBITORS OF HUMAN LYMPHADENOPATHY ASSOCIATED VIRUS(HIV) | WAKE FOREST UNIVERSITY | 2001-06-05 | — | — | US | disclosed |