Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17847474 | 0.87 | GABRA1 (0.36) | CYP3A4CYP1A2TDP1ALDH1A1HPGD | |
| SCHEMBL11379080 | 0.78 | CYP3A4 (0.41) | CYP3A4TSHRTRPA1TDP1ALDH1A1 | |
| SCHEMBL10978382 | 0.78 | CYP3A4 (0.40) | CYP3A4TSHRTRPA1TDP1ALDH1A1 | |
| SCHEMBL19712993 | 0.77 | HTR2C (0.34) | CYP3A4TDP1ALDH1A1HPGDGABRA1 | |
| SCHEMBL19712976 | 0.75 | CYP3A4 (0.35) | CYP3A4CYP1A2ALDH1A1HPGD | |
| SCHEMBL93291 | 0.75 | CYP3A4 (0.68) | CYP3A4TSHRTRPA1CYP1A2TDP1 | |
| SCHEMBL484026 | 0.74 | CYP3A4 (0.40) | CYP3A4TSHRTRPA1CYP1A2TDP1 | |
| SCHEMBL9462259 | 0.74 | CYP3A4 (0.51) | CYP3A4TSHRTRPA1CYP1A2TDP1 | |
| SCHEMBL30568788 | 0.74 | CYP3A4 (0.40) | CYP3A4TSHRTRPA1CYP1A2TDP1 | |
| SCHEMBL1493132 | 0.73 | CYP3A4 (0.53) | CYP3A4TSHRTRPA1CYP1A2TDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0071139-B1 | SIMPLIFIED PROCESS FOR THE PREPARATION OF POLYAMINES BY ALKALINE HYDROLYSIS COMPOUNDS CONTAINING NCO GROUPS, AND USE OF THESE POLYAMINES IN THE PREPARATION OF POLYURETHANES | BAYER AG (DE) | 1985-12-04 | — | — | EP | disclosed |
| US-4525590-A | NEUTRALIZATION WITH ACID | BAYER AKTIENGESELLSCHAFT (DE) | 1985-06-25 | — | — | US | disclosed |
| EP-0071139-A2 | Simplified process for the preparation of polyamines by alkaline hydrolysis compounds containing NCO groups, and use of these polyamines in the preparation of polyurethanes | BAYER AG (DE) | 1983-02-09 | — | — | EP | disclosed |
| EP-0071138-A2 | Aromatic and aliphatic sulphur-containing primary amines, preparation thereof and use thereof in the manufacture of polyurethanes | BAYER AG (DE) | 1983-02-09 | — | — | EP | disclosed |
| US-4276386-A | LIQUID AT ROOM TEMPERATURE OR LIQUEFIABLE BY GENTLE HEATING | BAYER AKTIENGESELLSCHAFT (US) | 1981-06-30 | — | — | US | disclosed |