Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PTGIR | P43119 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SLC18A3 | Q16572 | 4/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL8711305 | 0.96 | PTGIR (0.45) | OPRM1CYP2C19CYP1A2GAACYP2C9 | |
| Fumaric Acid SCHEMBL8711308 | 0.96 | PTGIR (0.45) | OPRM1CYP2C19CYP1A2GAACYP2C9 | |
| SCHEMBL8715019 | 0.93 | CYP2C19 (0.51) | OPRM1CYP2C19CYP1A2GAACYP2C9 | |
| SCHEMBL8715758 | 0.92 | HSD11B1 (0.48) | CYP2C19CYP1A2GAACYP2C9CYP2D6 | |
| Fumaric Acid SCHEMBL8714787 | 0.89 | CYP2C19 (0.47) | OPRM1CYP2C19CYP1A2GAACYP2C9 | |
| Fumaric Acid SCHEMBL8714788 | 0.89 | CYP2C19 (0.47) | OPRM1CYP2C19CYP1A2GAACYP2C9 | |
| SCHEMBL8712161 | 0.88 | CYP2C9 (0.58) | OPRM1CYP2C19CYP1A2GAACYP2C9 | |
| SCHEMBL8714653 | 0.87 | OPRM1 (0.51) | OPRM1CYP2C19CYP1A2GAACYP2C9 | |
| SCHEMBL8714385 | 0.84 | CYP2C19 (0.51) | CYP2C19CYP1A2GAACYP2C9CYP2D6 | |
| SCHEMBL8716576 | 0.84 | OPRM1 (0.48) | OPRM1CYP2C19CYP1A2GAACYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5728835-A | HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS | TOA EIYO, LTD. (JP) | 1998-03-17 | — | — | US | disclosed |
| EP-0661266-A1 | Substituted cyclic amine compounds as 5HT2 antagonists | TOA EIYO LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |