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 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7749119 | 0.91 | CYP2C19 (0.40) | MEN1KMT2AOPRM1CYP2C19KCNA3 | |
| SCHEMBL7750157 | 0.88 | KCNA3 (0.41) | MEN1KMT2AOPRM1CYP2C19KCNA3 | |
| SCHEMBL7305853 | 0.87 | OPRM1 (0.45) | OPRM1KCNA3TACR1OPRD1LMNA | |
| SCHEMBL7751961 | 0.86 | OPRM1 (0.46) | POLBMEN1KMT2AOPRM1CYP2C19 | |
| SCHEMBL6470097 | 0.78 | POLB (0.42) | POLBMEN1KMT2AOPRM1CYP2C19 | |
| Water SCHEMBL8367987 | 0.77 | POLB (0.42) | POLBMEN1KMT2AOPRM1CYP2C19 | |
| SCHEMBL4630111 | 0.77 | SLC6A2 (0.45) | OPRM1KCNA3TACR1SLC6A2SLC6A4 | |
| SCHEMBL7751873 | 0.75 | OPRM1 (0.44) | MEN1KMT2AOPRM1CYP2C19ALDH1A1 | |
| SCHEMBL6543224 | 0.74 | OPRM1 (0.53) | MEN1KMT2AOPRM1CYP2C19ALDH1A1 | |
| SCHEMBL8368965 | 0.73 | OPRM1 (0.59) | POLBMEN1KMT2AOPRM1CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6294537-B1 | NEUROKININS USED FOR TREATMENT OF DISEASES | SANOFI-SYNTHELABO (FR) | 2001-09-25 | — | — | US | disclosed |
| US-6124316-A | ACTIVE DRUG TREATING PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, OF HYPERTENSION AND, NERVOUS SYSTEM DISORDERS | SANOFI (FR) | 2000-09-26 | — | — | US | disclosed |
| US-5942523-A | NOVEL PIPERIDINE DERIVATIVES WHOSE SPECIFIC STRUCTURE INCLUDES AT POSITION 1 AN ALKYL CHAIN HAVING A 3,4-DICHLOROPHENYL GROUP ATTACHED; HIGH SELECTIVITY TO THE NK3 RECEPTOR; UNIT DOSAGE FORM; TREATING PSYCHIATRIC DISEASES | SANOFI (FR) | 1999-08-24 | — | — | US | disclosed |
| US-5741910-A | PIPERIDINE DERIVATIVE INTERMEDIATES | SANOFI (FR) | 1998-04-21 | — | — | US | disclosed |