Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 11/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 11/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 10/20 | 0.49 |
| ▸ | CDK2 | P24941 | 10/20 | 0.49 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.49 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | POLA1 | P09884 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 4/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | MGMT | P16455 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8215839 | 1.00 | CDK1 (0.51) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL29351420 | 0.90 | CDK1 (0.49) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL8219211 | 0.82 | NOS1 (0.38) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL8215833 | 0.82 | NOS1 (0.38) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL9218297 | 0.78 | CDK1 (0.45) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL8207461 | 0.78 | CDK1 (0.56) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL6897929 | 0.76 | CDK1 (0.63) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL8219220 | 0.75 | CDK1 (0.50) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL8215844 | 0.75 | CDK1 (0.50) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL1146063 | 0.70 | CDK1 (0.61) | CDK1CCNB1CCNA2CDK2CCNA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000059906-A1 | AMINOHETEROCYCLE-SUBSTITUTED GLYCEROLS | CLARION PHARMACEUTICALS, INC. (US) | 2000-10-12 | — | — | WO | disclosed |