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 | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 9/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | MMP12 | P39900 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PTGES | O14684 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9845455 | 0.83 | CA1 (0.70) | FFAR1ALDH1A1CA1CA2FFAR4 | |
| SCHEMBL1510710 | 0.83 | FFAR1 (0.71) | FFAR1ALDH1A1MMP12FFAR4TDP1 | |
| SCHEMBL10557150 | 0.83 | CA2 (0.49) | MMP12CA2MMP13PTGESALOX5 | |
| Biphenyl SCHEMBL3965069 | 0.82 | SMN1; SMN2 (0.60) | ALDH1A1CA1CA2MMP13MAPT | |
| Benzylacetone SCHEMBL28223865 | 0.81 | ALDH1A1 (0.64) | ALDH1A1MAPTTDP1L3MBTL1 | |
| Phenyl Propionic Acid SCHEMBL27717088 | 0.80 | KEAP1 (0.70) | FFAR1ALDH1A1CA1CA2FFAR4 | |
| Biphenyl SCHEMBL1157673 | 0.80 | SMN1; SMN2 (0.58) | ALDH1A1CA1CA2MMP13MAPT | |
| SCHEMBL8618654 | 0.80 | FFAR1 (1.00) | FFAR1MMP12MMP13FFAR4KEAP1 | |
| SCHEMBL1211561 | 0.80 | FFAR1 (1.00) | FFAR1MMP12MMP13FFAR4KEAP1 | |
| Succinic Acid SCHEMBL11462893 | 0.78 | KMT2A (0.53) | ALDH1A1MAPTTDP1L3MBTL1KEAP1 |
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-1478619-A1 | A PROCESS FOR PREPARING A PHENYLALANINE DERIVATIVE AND INTERMEDIATES THEREOF | TANABE SEIYAKU CO., LTD. (JP) | 2004-11-24 | — | — | EP | disclosed |
| WO-2003072536-A1 | A PROCESS FOR PREPARING A PHENYLALANINE DERIVATIVE AND INTERMEDIATES THEREOF | TANABE SEIYAKU CO., LTD. (JP) | 2003-09-04 | — | — | WO | disclosed |