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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 4/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | HTR1B | P28222 | 3/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | HTR1E | P28566 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTR1F | P30939 | 1/20 | 0.36 |
| ▸ | RB1 | P06400 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6958771 | 0.91 | HTR1A (0.50) | HTR1ADRD2HTR1BHTR1DALDH1A1 | |
| SCHEMBL6958794 | 0.78 | HTR1A (0.48) | HTR1ADRD2HTR1BHTR1DALDH1A1 | |
| SCHEMBL6960098 | 0.77 | ALDH1A1 (0.51) | HTR1ADRD2HTR1BHTR1DALDH1A1 | |
| SCHEMBL9336316 | 0.76 | HTR1A (0.58) | HTR1ADRD2HTR1BHTR1DALDH1A1 | |
| Hydrochloric Acid SCHEMBL6953846 | 0.75 | HTR1A (0.49) | HTR1ADRD2HTR1BHTR1DALDH1A1 | |
| SCHEMBL6965193 | 0.74 | HTR1A (0.56) | HTR1ADRD2HTR1BHTR1DALDH1A1 | |
| Oxalic Acid SCHEMBL9334144 | 0.74 | HTR1A (0.56) | HTR1ADRD2HTR1BHTR1DALDH1A1 | |
| SCHEMBL7658590 | 0.72 | HTR1F (0.58) | HTR1ADRD2HTR1BHTR1DALDH1A1 | |
| Oxalic Acid SCHEMBL9334138 | 0.71 | HTR1A (0.55) | HTR1ADRD2HTR1BHTR1DALDH1A1 | |
| Formic Acid SCHEMBL6962862 | 0.71 | HTR1B (0.49) | HTR1ADRD2HTR1BHTR1DALDH1A1 |
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-6221884-B1 | Carboxamides useful as 5-HT1F agonists | ELI LILLY AND COMPANY | 2001-04-24 | — | — | US | disclosed |