Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | CPN1 | P15169 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.37 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL9439864 | 0.95 | SLC2A1 (0.46) | TSHRCA2SLC2A1CPN1CPB2 | |
| SCHEMBL9439749 | 0.89 | CPN1 (0.41) | TSHRCA2CPN1CPB2CYP3A4 | |
| SCHEMBL6257483 | 0.84 | TSHR (0.45) | TSHRCPN1CPB2CYP3A4CASP1 | |
| SCHEMBL28183514 | 0.84 | TSHR (0.45) | TSHRCPN1CPB2CYP3A4CASP1 | |
| SCHEMBL21124173 | 0.82 | TSHR (0.44) | TSHRCA2CPN1CPB2CYP3A4 | |
| SCHEMBL14120590 | 0.82 | CA2 (0.42) | TSHRCA2SLC2A1CYP3A4TP53 | |
| SCHEMBL15157405 | 0.81 | CYP3A4 (0.44) | TSHRCA2CPN1CPB2CYP3A4 | |
| SCHEMBL17454798 | 0.81 | CYP3A4 (0.44) | TSHRCA2CPN1CPB2CYP3A4 | |
| SCHEMBL9439972 | 0.81 | CYP3A4 (0.44) | TSHRCA2CPN1CPB2CYP3A4 | |
| SCHEMBL20921369 | 0.81 | TSHR (0.42) | TSHRCPN1CPB2CYP3A4CASP1 |
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 |