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 | 7/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL378736 | 0.84 | CYP2C19 (0.63) | MEN1KMT2AOPRM1CYP2C19CYP2D6 | |
| SCHEMBL8366555 | 0.81 | CYP2C19 (0.42) | MEN1KMT2AOPRM1CYP2C19CA12 | |
| Aziridine SCHEMBL5185484 | 0.80 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7751916 | 0.80 | OPRM1 (0.56) | MEN1KMT2AOPRM1OPRK1CYP2C19 | |
| SCHEMBL6543224 | 0.80 | OPRM1 (0.53) | MEN1KMT2AOPRM1OPRK1OPRL1 | |
| SCHEMBL7744605 | 0.80 | POLB (0.53) | MEN1KMT2AOPRM1CYP2C19CYP2D6 | |
| SCHEMBL7745885 | 0.80 | OPRM1 (0.41) | MEN1KMT2AOPRM1OPRK1OPRL1 | |
| SCHEMBL7750039 | 0.79 | CYP2C19 (0.43) | MEN1KMT2AOPRM1OPRL1CYP2C19 | |
| SCHEMBL6447438 | 0.79 | CYP2C19 (0.43) | MEN1KMT2AOPRM1CYP2C19CYP2D6 | |
| SCHEMBL613058 | 0.78 | DRD2 (0.66) | MEN1KMT2AOPRM1OPRK1OPRL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242637-B1 | USED IN TREATMENT INVOLVING THE TACHYKININ SYSTEM, SUCH AS PAIN, ALLERGY AND INFLAMMATION, CIRCULATORY, GASTROINTESTINAL, NEUROLOGICAL, AND NEUROPSYCHIATRIC DISORDERS | SANOFI-SYNTHELABO (FR) | 2001-06-05 | — | — | US | disclosed |
| US-6011154-A | Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 2000-01-04 | — | — | US | disclosed |
| US-5977359-A | Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 1999-11-02 | — | — | US | disclosed |
| US-5869663-A | INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1999-02-09 | — | — | US | disclosed |
| US-5780466-A | DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS | SANOFI (FR) | 1998-07-14 | — | — | US | disclosed |
| US-5641777-A | NEUROKININ RECEPTOR ANTAGONIST | SANOFI (FR) | 1997-06-24 | — | — | US | disclosed |