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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 7/20 | 0.44 |
| ▸ | CA2 | P00918 | 7/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3082151 | 0.90 | LMNA (0.50) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL2084720 | 0.90 | LMNA (0.50) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL718199 | 0.90 | LMNA (0.52) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL2590490 | 0.90 | LMNA (0.52) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL9443648 | 0.90 | LMNA (0.52) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL5221398 | 0.90 | LMNA (0.52) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL11856790 | 0.89 | LMNA (0.51) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL7274648 | 0.88 | LMNA (0.48) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL28847759 | 0.88 | LMNA (0.48) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL7354344 | 0.88 | LMNA (0.50) | LMNAMAPTCYP2D6MAPK1CA1 |
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-7507828-B2 | Histone deacetylase inhibitors and methods of use thereof | GEORGETOWN UNIVERSITY (US) | 2009-03-24 | — | — | US | disclosed |