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 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27574918 | 0.94 | LMNA (0.46) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL3071 | 0.91 | LMNA (0.52) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL6447396 | 0.91 | LMNA (0.52) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL719256 | 0.91 | LMNA (0.52) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL1670578 | 0.89 | LMNA (0.54) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL716770 | 0.89 | LMNA (0.54) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL719791 | 0.89 | LMNA (0.54) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL5917169 | 0.88 | LMNA (0.49) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL1287362 | 0.88 | LMNA (0.49) | LMNAMAPTCYP2D6MAPK1CA1 | |
| SCHEMBL7759042 | 0.88 | LMNA (0.49) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1524846-A | Producing process for threonine benzyl ester oxalate | 四川三高生化股份有限公司 | 2004-09-01 | — | — | CN | disclosed |
| EP-1084104-A1 | NITRIC OXIDE SYNTHASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062875-A1 | NITRIC OXIDE SYNTHASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 1999-12-09 | — | — | WO | disclosed |