Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
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 SCHEMBL8710973 | 0.96 | CYP2D6 (0.46) | CYP2C19CYP2D6ACKR3HSD17B10SMN1; SMN2 | |
| SCHEMBL8713625 | 0.91 | CYP2C19 (0.54) | CYP2C19CYP2D6HSD17B10SMN1; SMN2LMNA | |
| SCHEMBL8713319 | 0.90 | CYP2C19 (0.54) | CYP2C19CYP2D6HSD17B10SMN1; SMN2LMNA | |
| SCHEMBL8713887 | 0.89 | CYP2C19 (0.51) | CYP2C19CYP2D6HSD17B10SMN1; SMN2LMNA | |
| Oxalic Acid SCHEMBL8711790 | 0.87 | CYP2C19 (0.51) | CYP2C19CYP2D6HSD17B10SMN1; SMN2LMNA | |
| SCHEMBL8711225 | 0.87 | CYP2C19 (0.51) | CYP2C19CYP2D6HSD17B10SMN1; SMN2LMNA | |
| SCHEMBL8710662 | 0.87 | CYP2C19 (0.51) | CYP2C19CYP2D6HSD17B10SMN1; SMN2LMNA | |
| SCHEMBL8714087 | 0.87 | CYP2C19 (0.53) | CYP2C19CYP2D6HSD17B10SMN1; SMN2LMNA | |
| Fumaric Acid SCHEMBL8712380 | 0.86 | CYP2D6 (0.49) | CYP2C19CYP2D6HSD17B10SMN1; SMN2LMNA | |
| Fumaric Acid SCHEMBL8712378 | 0.86 | CYP2D6 (0.49) | CYP2C19CYP2D6HSD17B10SMN1; SMN2LMNA |
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 |