Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28120055 | 1.00 | ALDH1A1 (0.50) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL28853844 | 1.00 | ALDH1A1 (0.50) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL1493050 | 0.93 | ALDH1A1 (0.56) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL1992984 | 0.93 | ALDH1A1 (0.56) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL20537320 | 0.88 | ALDH1A1 (0.62) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL21065562 | 0.86 | ALDH1A1 (0.50) | ALDH1A1APLNRCYP3A4 | |
| Methane SCHEMBL6901563 | 0.85 | ALDH1A1 (0.59) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL20782935 | 0.84 | ALDH1A1 (0.60) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL150431 | 0.84 | ALDH1A1 (0.74) | ALDH1A1APLNRCYP3A4 | |
| Cyanate SCHEMBL28834574 | 0.83 | ALDH1A1 (0.46) | ALDH1A1APLNRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5336749-A | Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-08-09 | — | — | US | disclosed |
| EP-0394058-B1 | ALICYCLIC DIAMINES, ALICYCLIC DIISOCYANATES AND POLYISOCYANATO-ISOCYANURATES AND METHOD FOR THE PREPARATION THEREOF | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-08-25 | — | — | EP | disclosed |
| US-5210286-A | Hydrogenation of corresponding aromatic compound, reaction with phosgene | MITSUI TOATSU CHEMICALS, INC. (JP) | 1993-05-11 | — | — | US | disclosed |
| US-5126426-A | Catalytic hydrogenation of aromatic diamine | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1992-06-30 | — | — | US | disclosed |
| EP-0394058-A1 | Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-10-24 | — | — | EP | disclosed |