Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL1537231 | 0.88 | CYP1A2 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL3680376 | 0.87 | AOC3 (0.38) | SMN1; SMN2AOC3CFDFFAR1GPR84 | |
| SCHEMBL9439895 | 0.86 | CYP1A2 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19IKBKB | |
| SCHEMBL4340700 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8127391 | 0.83 | HRH1 (0.43) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL14150341 | 0.81 | FFAR1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL28122680 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL11202355 | 0.79 | ALOX15 (0.36) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL4555367 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL15295134 | 0.79 | ESR1 (0.43) | ALDH1A1AOC3TSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1046522-A | Alicyclic diamine and vulcabond of alicyclic ring and polyisocyanate root close isocyanuric acid ester and preparation method thereof | MITSUI TOATSU CHEMICALS (JP) | 1990-10-31 | — | — | CN | 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 |