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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | CA2 | P00918 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7325979 | 0.88 | CA1 (0.51) | CA1CA2LMNAHPGDALDH1A1 | |
| SCHEMBL6063666 | 0.88 | CA1 (0.51) | CA1CA2LMNAHPGDALDH1A1 | |
| SCHEMBL7373529 | 0.86 | CA1 (0.49) | CA1CA2LMNAHPGDALDH1A1 | |
| SCHEMBL9638788 | 0.86 | CA1 (0.49) | CA1CA2LMNAHPGDALDH1A1 | |
| SCHEMBL9699519 | 0.83 | TSHR (0.50) | CA1CA2LMNAHPGDFKBP1A | |
| SCHEMBL31518983 | 0.83 | POLB (0.53) | HPGDALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL31518977 | 0.83 | FABP7 (0.54) | ALDH1A1FKBP1AMEN1KMT2A | |
| SCHEMBL522278 | 0.83 | FABP7 (0.54) | ALDH1A1FKBP1AMEN1KMT2A | |
| SCHEMBL1323668 | 0.82 | TSHR (0.51) | CA1CA2LMNAHPGDALDH1A1 | |
| SCHEMBL1323670 | 0.82 | TSHR (0.51) | CA1CA2LMNAHPGDALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1476158-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | Pfizer Limited (GB) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003068235-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |