Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.57 |
| ▸ | RARG | P13631 | 1/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.57 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.57 |
| ▸ | PPARA | Q07869 | 1/20 | 0.57 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.57 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.57 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10806394 | 0.82 | TDP1 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10438776 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10438775 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20861656 | 0.75 | TSHR (0.51) | TSHRALDH1A1GAAFKBP1AMEN1 | |
| SCHEMBL388107 | 0.74 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10707030 | 0.74 | TDP1 (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL7293157 | 0.74 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15709938 | 0.73 | TSHR (0.56) | CYP2C19L3MBTL1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL15709940 | 0.73 | TSHR (0.56) | CYP2C19L3MBTL1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL15743128 | 0.73 | TSHR (0.56) | CYP2C19L3MBTL1SMN1; SMN2TSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5210266-A | Analgesic enkephalinase inhibitors | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1993-05-11 | — | — | US | disclosed |
| US-5179125-A | Analgesics | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1993-01-12 | — | — | US | disclosed |
| EP-0318859-A2 | N-substituted mercaptopropanamide derivatives | Dainippon Pharmaceutical Co., Ltd. (JP) | 1989-06-07 | — | — | EP | disclosed |