Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10653098 | 0.87 | TSHR (0.72) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15457139 | 0.74 | KDM4E (0.50) | CYP3A4TSHRMAPK1ALOX15GAA | |
| SCHEMBL10736548 | 0.73 | — | — | |
| SCHEMBL10757805 | 0.73 | — | — | |
| SCHEMBL10654289 | 0.73 | — | — | |
| SCHEMBL3232811 | 0.73 | MAPT (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10660769 | 0.73 | — | — | |
| SCHEMBL10654564 | 0.73 | — | — | |
| SCHEMBL10659233 | 0.73 | — | — | |
| SCHEMBL10733601 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0293500-A1 | 3-heteroalkyl-2,4.quinzaoline-diones | AMERICAN CYANAMID COMPANY (US) | 1988-12-07 | — | — | EP | disclosed |
| US-4753944-A | INHIBITING THROMBOXANE SYNTHETASE | AMERICAN CYANAMID COMPANY (US) | 1988-06-28 | — | — | US | disclosed |
| US-4710502-A | THROMBOXANE SYNTHETASE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 1987-12-01 | — | — | US | disclosed |