Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28258614 | 0.82 | CYP3A4 (0.37) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL129232 | 0.79 | CYP3A4 (0.52) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL10316854 | 0.78 | CYP3A4 (0.47) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL291584 | 0.77 | CYP3A4 (0.57) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL28258617 | 0.77 | CYP3A4 (0.37) | CYP3A4TRPA1GABRA1GABRB2 | |
| SCHEMBL295649 | 0.76 | CYP3A4 (0.50) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL28258602 | 0.75 | CYP3A4 (0.59) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL28949324 | 0.74 | CYP3A4 (0.47) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL1854136 | 0.74 | CYP3A4 (0.39) | CYP3A4TRPA1GABRA1GABRB2 | |
| SCHEMBL110656 | 0.73 | CYP3A4 (0.52) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0244778-B1 | MONO-TERTIARY-ALKYLATED TOLUENEDIISO-CYANATES AND DERIVATIVES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-10-16 | — | — | EP | disclosed |
| EP-0370408-A1 | Process for the preparation of polyisocyanate prepolymers and polyurethanes and resulting compositions | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-05-30 | — | — | EP | disclosed |
| EP-0275030-A1 | Urethane linked hydroxy aromatic isocyanates | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-07-20 | — | — | EP | disclosed |
| EP-0244778-A1 | Mono-tertiary-alkylated toluenediiso-cyanates and derivatives | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1987-11-11 | — | — | EP | disclosed |