Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 7/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CTSL | P07711 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | CHKA | P35790 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.44 |
| ▸ | CDK2 | P24941 | 3/20 | 0.44 |
| ▸ | NT5E | P21589 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6817845 | 0.86 | CYP2D6 (0.64) | CDK1TSHRCYP1A2CTSLCYP2D6 | |
| SCHEMBL6944712 | 0.83 | CDK1 (0.57) | CDK1TSHRCTSLCYP2D6CYP2C9 | |
| SCHEMBL6821666 | 0.82 | ADORA3 (0.60) | CDK1TSHRCTSLCYP2D6CYP2C9 | |
| SCHEMBL8201684 | 0.82 | ADORA3 (0.64) | CDK1TSHRCTSLCYP2D6CYP2C9 | |
| SCHEMBL6821051 | 0.82 | ADORA3 (0.64) | CDK1TSHRCTSLCYP2D6CYP2C9 | |
| SCHEMBL6821695 | 0.81 | CDK2 (0.70) | CDK1SRCCCNE1CDK2CCNB2 | |
| SCHEMBL6821691 | 0.81 | CDK2 (0.70) | CDK1SRCCCNE1CDK2CCNB2 | |
| Hydrochloric Acid SCHEMBL6820843 | 0.81 | CDK2 (0.69) | CDK1SRCCCNE1CDK2CCNB2 | |
| Hydrochloric Acid SCHEMBL6820844 | 0.81 | CDK2 (0.69) | CDK1SRCCCNE1CDK2CCNB2 | |
| SCHEMBL6821652 | 0.80 | CTSL (0.52) | CDK1TSHRCTSLCYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1056745-B1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMA INC (US) | 2004-06-16 | — | — | EP | disclosed |
| US-6413974-B1 | INHIBITORS OF CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; PREVENTING APOPTOSIS IN NEURONAL CELLS; ANTINEOPLASTIC AGENTS; NEURONAL INJURY AND DEGENERATION; CEREBROVASCULAR DISEASE | AVENTIS PHARMACEUTICALS INC. | 2002-07-02 | — | — | US | disclosed |
| EP-1056745-A2 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043676-A2 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |