Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11081917 | 0.77 | ESR1 (0.39) | MMP3ESR1ESR2CYP3A4CA12 | |
| SCHEMBL27898352 | 0.73 | ALDH1A1 (0.60) | KIF11MMP3ESR1ESR2TRPA1 | |
| SCHEMBL8546243 | 0.73 | ALDH1A1 (0.60) | KIF11MMP3ESR1ESR2TRPA1 | |
| SCHEMBL11675959 | 0.69 | ESR1 (0.39) | KIF11MMP3ESR1ESR2TRPA1 | |
| Water SCHEMBL8153073 | 0.68 | — | — | |
| SCHEMBL27855782 | 0.67 | ALDH1A1 (0.35) | KIF11ESR1ESR2ALDH1A1TP53 | |
| Cyanate SCHEMBL8848933 | 0.67 | — | — | |
| Acetonitrile SCHEMBL6565616 | 0.67 | — | — | |
| SCHEMBL30589936 | 0.63 | ALDH1A1 (0.55) | MMP3ESR1ESR2ALDH1A1TP53 | |
| SCHEMBL30135412 | 0.63 | ALDH1A1 (0.55) | MMP3ESR1ESR2ALDH1A1TP53 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0066482-B1 | METHOD FOR THE PREPARATION OF ALIPHATIC OR AROMATIC NITRILES | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1984-11-28 | — | — | EP | disclosed |
| EP-0066483-B1 | METHOD FOR THE PREPARATION OF ALIPHATIC OR AROMATIC NITRILES | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1984-11-21 | — | — | EP | disclosed |
| EP-0065447-B1 | FLUOR-CONTAINING SILICA CATALYSTS; THEIR PREPARATION, AND THEIR USE IN THE PREPARATION OF NITRILES | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1984-09-05 | — | — | EP | disclosed |
| EP-0066482-A1 | Method for the preparation of aliphatic or aromatic nitriles | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1982-12-08 | — | — | EP | disclosed |
| EP-0066483-A1 | Method for the preparation of aliphatic or aromatic nitriles | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1982-12-08 | — | — | EP | disclosed |
| EP-0065447-A1 | Fluor-containing silica catalysts; their preparation, and their use in the preparation of nitriles | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1982-11-24 | — | — | EP | disclosed |