Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.46 |
| ▸ | RARG | P13631 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CASR | P41180 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7433128 | 0.87 | CHRNB2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7438953 | 0.86 | RAB9A (0.44) | RAB9ACASRNPC1TDP1ALDH1A1 | |
| SCHEMBL7433382 | 0.85 | MAPT (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7432730 | 0.85 | RAB9A (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7427596 | 0.83 | NPSR1 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7430654 | 0.83 | RAB9A (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7538252 | 0.83 | RAB9A (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7433051 | 0.83 | RAB9A (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7433901 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7429429 | 0.81 | KMT2A (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 |
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 |