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 | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CPB1 | P15086 | 1/20 | 0.45 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.45 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 3/20 | 0.43 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.43 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.43 |
| ▸ | ECE1 | P42892 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL30541877 | 0.90 | LTA4H (0.53) | LTA4HCA1CA2CPB1CPB2 | |
| SCHEMBL20572531 | 0.88 | LMNA (0.47) | LTA4HCA1CA2CPB1CPB2 | |
| SCHEMBL28640586 | 0.88 | LMNA (0.47) | LTA4HCA1CA2CPB1CPB2 | |
| SCHEMBL7803936 | 0.88 | LMNA (0.47) | LTA4HCA1CA2CPB1CPB2 | |
| SCHEMBL29104388 | 0.87 | LMNA (0.46) | LTA4HCA1CA2CPB1CPB2 | |
| SCHEMBL2411412 | 0.87 | LTA4H (0.58) | LTA4HCPB1CPB2LNPEPSIRT2 | |
| SCHEMBL2289331 | 0.87 | LTA4H (0.58) | LTA4HCPB1CPB2LNPEPSIRT2 | |
| Hydrochloric Acid SCHEMBL2289325 | 0.86 | LTA4H (0.57) | LTA4HCPB1CPB2LNPEPSIRT2 | |
| Hydrochloric Acid SCHEMBL2289337 | 0.86 | LTA4H (0.57) | LTA4HCPB1CPB2LNPEPSIRT2 | |
| Hydrochloric Acid SCHEMBL2293011 | 0.86 | LTA4H (0.57) | LTA4HCPB1CPB2LNPEPSIRT2 |
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-6013647-A | BACTERICIDES | GRUENENTHAL GMBH (DE) | 2000-01-11 | — | — | US | disclosed |