Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10884757 | 0.79 | CES2 (0.41) | CES2CES1HTR2ATAAR1DPP4 | |
| SCHEMBL4278718 | 0.78 | CES2 (0.44) | CYP2D6CES2CES1HTR2ATAAR1 | |
| SCHEMBL4282489 | 0.76 | CES2 (0.42) | CYP2D6CES2CES1HTR2ATAAR1 | |
| SCHEMBL27784141 | 0.75 | HTR2A (0.52) | HTR2ATAAR1DPP4F2TSHR | |
| SCHEMBL8845699 | 0.74 | CES2 (0.41) | CYP2D6CES2CES1HTR2ATAAR1 | |
| SCHEMBL27400 | 0.74 | LMNA (0.52) | CES2CES1HTR2ATAAR1LMNA | |
| SCHEMBL28057234 | 0.74 | TAAR1 (0.59) | CYP2D6HTR2ATAAR1DPP4F2 | |
| SCHEMBL8471000 | 0.74 | CES2 (0.46) | CYP2D6CES2CES1HTR2ATAAR1 | |
| SCHEMBL6967520 | 0.74 | TSHR (0.43) | CYP2D6CES2CES1HTR2ATAAR1 | |
| SCHEMBL1415533 | 0.72 | TAAR1 (0.43) | CYP2D6HTR2ATAAR1DPP4F2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3917524-A1 | DEUTERATED MITRAGYNINE ANALOGS AS SAFER OPIOID MODULATORS IN THE MITRAGYNINE CLASS | The Trustees of Columbia University in the City of New York (US) | 2021-12-08 | — | — | EP | disclosed |
| WO-2020160280-A1 | DEUTERATED MITRAGYNINE ANALOGS AS SAFER OPIOID MODULATORS IN THE MITRAGYNINE CLASS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-08-06 | — | — | WO | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |