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 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | TET3 | O43151 | 1/20 | 0.40 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.40 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.40 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.40 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.40 |
| ▸ | CXXC4 | Q9H2H0 | 1/20 | 0.40 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7751916 | 0.88 | OPRM1 (0.56) | CYP2C19OPRM1KMT2AMEN1HDAC1 | |
| SCHEMBL7749195 | 0.85 | CYP2C19 (0.46) | CYP2C19OPRM1KMT2AMEN1CYP2D6 | |
| SCHEMBL7751889 | 0.84 | MEN1 (0.55) | CYP2C19OPRM1KMT2AMEN1CYP2D6 | |
| SCHEMBL6498800 | 0.83 | OPRM1 (0.53) | CYP2C19OPRM1KMT2ACYP1A2AKR1C1 | |
| SCHEMBL3565382 | 0.82 | OPRM1 (0.51) | CYP2C19OPRM1KMT2AAKR1C1MEN1 | |
| SCHEMBL373567 | 0.81 | AKR1C1 (0.68) | CYP2C19OPRM1KMT2AAKR1C1HDAC1 | |
| SCHEMBL7744605 | 0.80 | POLB (0.53) | CYP2C19OPRM1KMT2AMEN1CYP2D6 | |
| SCHEMBL6543224 | 0.80 | OPRM1 (0.53) | CYP2C19OPRM1KMT2AMEN1CYP2D6 | |
| Hydrochloric Acid SCHEMBL18281540 | 0.80 | AKR1C1 (0.66) | OPRM1KMT2AAKR1C1HDAC1TET3 | |
| Ammonia Solution, Strong SCHEMBL3210975 | 0.80 | AKR1C1 (0.66) | CYP2C19OPRM1KMT2AAKR1C1HDAC1 |
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 139 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8754073-B2 | Substituted piperazino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-17 | — | — | US | disclosed |
| US-8664216-B2 | Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes | HOFFMANN-LA ROCHE INC. (US) | 2014-03-04 | — | — | US | disclosed |
| CN-102216305-B | Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes | HOFFMANN LA ROCHE | 2013-12-18 | — | — | CN | disclosed |
| US-8383821-B2 | NK-1 and serotonin transporter inhibitors | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2013-02-26 | — | — | US | disclosed |
| EP-2228065-B1 | Heterocyclo inhibitors of potassium channel function | BRISTOL MYERS SQUIBB CO (US) | 2012-12-26 | — | — | EP | disclosed |
| US-8324250-B2 | Piperidine derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-12-04 | — | — | US | disclosed |
| EP-2356123-B1 | SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES | HOFFMANN LA ROCHE (CH) | 2012-10-03 | — | — | EP | disclosed |
| EP-1501467-B1 | HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION | BRISTOL MYERS SQUIBB CO (US) | 2012-05-09 | — | — | EP | disclosed |
| EP-2408745-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-01-25 | — | — | EP | disclosed |
| CN-102216305-A | Spiro-5,6-dihydro-4h-2,3,5,10b-tetraaza-benzo[e]azulenes | HOFFMANN LA ROCHE | 2011-10-12 | — | — | CN | disclosed |
| EP-0790826-A1 | DIHYDROPYRIMIDINES AND USES THEREOF | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 1997-08-27 | — | — | EP | disclosed |
| US-5641777-A | NEUROKININ RECEPTOR ANTAGONIST | SANOFI (FR) | 1997-06-24 | — | — | US | disclosed |
| US-5620989-A | NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; PARTICULARLY ANTAGONISTIC FOR SUBSTANCE P | MERCK SHARP & DOHME LIMITED (GB) | 1997-04-15 | — | — | US | disclosed |
| WO-1996038471-A1 | DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE | PFIZER INC. (US) | 1996-12-05 | — | — | WO | disclosed |
| WO-1996035713-A1 | DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE | PFIZER, INC. (US) | 1996-11-14 | — | — | WO | disclosed |
| WO-1996014846-A1 | DIHYDROPYRIMIDINES AND USES THEREOF | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 1996-05-23 | — | — | WO | disclosed |
| EP-0666856-A1 | 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1995-08-16 | — | — | EP | disclosed |
| WO-1995019344-A1 | GEM-DISUBSTITUTED AZACYCLIC TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-07-20 | — | — | WO | disclosed |
| WO-1994022829-A2 | DIHYDROPYRIDINES AND NEW USES THEREOF | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 1994-10-13 | — | — | WO | disclosed |
| WO-1994010165-A1 | 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-11 | — | — | WO | disclosed |