Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | LAP3 | P28838 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9440103 | 0.94 | DPP4 (0.35) | OPRM1DPP4TP53CYP1A2KMT2A | |
| SCHEMBL9440115 | 0.86 | THRB (0.36) | DPP4KMT2ATHRBMEN1 | |
| SCHEMBL13958797 | 0.81 | OPRM1 (0.39) | OPRM1DPP4SPHK1TP53CYP1A2 | |
| SCHEMBL9439852 | 0.78 | THRB (0.39) | KMT2ATHRBMEN1 | |
| SCHEMBL8781982 | 0.76 | OPRM1 (0.44) | OPRM1SPHK1TP53LAP3CYP1A2 | |
| Hexane SCHEMBL10798196 | 0.75 | THRB (0.59) | DPP4SPHK1CYP1A2KMT2ATHRB | |
| SCHEMBL9204894 | 0.75 | OPRM1 (0.43) | OPRM1SPHK1TP53LAP3CYP1A2 | |
| SCHEMBL9209599 | 0.75 | OPRM1 (0.43) | OPRM1SPHK1TP53LAP3CYP1A2 | |
| SCHEMBL21162187 | 0.75 | OPRM1 (0.43) | OPRM1DPP4SPHK1CYP1A2KMT2A | |
| SCHEMBL9211350 | 0.75 | OPRM1 (0.43) | OPRM1SPHK1TP53LAP3CYP1A2 |
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 |