Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | PDE1A | P54750 | 1/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6679640 | 0.88 | CYP3A4 (0.50) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL11355720 | 0.85 | CYP3A4 (0.47) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL7379340 | 0.83 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL11378236 | 0.79 | CYP3A4 (0.47) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL844688 | 0.78 | CYP3A4 (0.47) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL844533 | 0.77 | CYP3A4 (0.49) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL28756311 | 0.76 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL11357629 | 0.75 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL844149 | 0.74 | CYP3A4 (0.49) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL11377000 | 0.72 | CYP3A4 (0.46) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4293553-A | ANTITHROMBOTIC AGENT | Ishikawa, Masayuki (JP) | 1981-10-06 | — | — | US | disclosed |