Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL15317 | 0.82 | CYP3A4 (0.61) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL6057020 | 0.81 | CYP3A4 (0.59) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL38512 | 0.79 | CYP3A4 (0.41) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL163362 | 0.77 | CYP3A4 (0.60) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL2585906 | 0.76 | CYP3A4 (0.59) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL31425155 | 0.76 | CYP3A4 (0.59) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL10526387 | 0.76 | CA2 (0.50) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL1483790 | 0.75 | CYP3A4 (0.41) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL14812425 | 0.74 | CYP3A4 (0.52) | CYP3A4TRPA1TDP1ALDH1A1HPGD | |
| SCHEMBL8608054 | 0.74 | CYP3A4 (0.52) | CYP3A4TRPA1TDP1ALDH1A1HPGD |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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-0303914-A2 | Urethane linked hydroxy aromatic amines | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-02-22 | — | — | EP | disclosed |
| EP-0283868-A2 | Process for producing polyurethane/urea elastomers | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-09-28 | — | — | EP | disclosed |
| EP-0275030-A1 | Urethane linked hydroxy aromatic isocyanates | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-07-20 | — | — | EP | disclosed |
| US-4724256-A | REACTING AROMATIC DIISOCYANATE AND ALIPHATIC POLYOL, CONTROLLING TEMPERATURE AND TIME TO PRODUCE ONE URETHANE LINKAGE | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-02-09 | — | — | US | disclosed |
| US-4722989-A | URETHANE-LINKED TOLUENEDIISOCYANATE, DIAMINE CHAIN EXTENSION | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-02-02 | — | — | US | disclosed |
| EP-0244778-A1 | Mono-tertiary-alkylated toluenediiso-cyanates and derivatives | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1987-11-11 | — | — | EP | disclosed |