Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL59215 | 0.83 | CYP3A4 (0.47) | CYP3A4 | |
| SCHEMBL29648824 | 0.83 | CYP3A4 (0.47) | CYP3A4 | |
| SCHEMBL30438763 | 0.76 | IDO1 (0.39) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL424482 | 0.76 | IDO1 (0.39) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL30438482 | 0.75 | CYP3A4 (0.40) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL162877 | 0.75 | CYP3A4 (0.40) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL3720950 | 0.74 | CYP3A4 (0.33) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL28453327 | 0.73 | PDE2A (0.45) | PDE2AALDH1A1TDP1 | |
| SCHEMBL9235250 | 0.73 | CYP3A4 (0.49) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL29648814 | 0.72 | CYP3A4 (0.47) | CYP3A4ALDH1A1TDP1TRPA1 |
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-0318796-B1 | SUBSTITUTED BENZOYL(THIO) UREAS | BAYER AG (DE) | 1993-06-16 | — | — | EP | disclosed |
| US-5096928-A | Caterpillars | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-17 | — | — | US | disclosed |
| EP-0318796-A2 | Substituted benzoyl(thio) ureas | BAYER AG (DE) | 1989-06-07 | — | — | EP | disclosed |