Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 2/20 | 0.58 |
| ▸ | CDK8 | P49336 | 2/20 | 0.58 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK7 | P50613 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | DGAT2 | Q96PD7 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.41 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15864390 | 1.00 | CCNC (0.58) | CCNCCDK8CYP11B1CYP11B2KDR | |
| SCHEMBL15870509 | 0.88 | CCNC (0.60) | CCNCCDK8CYP11B1CYP11B2CDK2 | |
| SCHEMBL15870537 | 0.86 | CCNC (0.55) | CCNCCDK8CYP11B1CYP11B2CDK2 | |
| SCHEMBL15870565 | 0.84 | CCNC (0.50) | CCNCCDK8CYP11B1CYP11B2KDR | |
| SCHEMBL15870558 | 0.83 | CCNC (0.62) | CCNCCDK8KDRCDK2CDK7 | |
| SCHEMBL15870512 | 0.82 | CCNC (0.61) | CCNCCDK8CDK2CDK7FDPS | |
| SCHEMBL15870580 | 0.82 | CCNC (0.61) | CCNCCDK8KDRCDK2CDK7 | |
| SCHEMBL15864475 | 0.82 | CASR (0.47) | CYP11B1CYP11B2KDRDGAT2ROCK2 | |
| SCHEMBL15870534 | 0.82 | CCNC (0.59) | CCNCCDK8KDRCDK2CDK7 | |
| SCHEMBL15870532 | 0.82 | CCNC (0.63) | CCNCCDK8KDRCDK2CDK7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014106606-A1 | NOVE PHENYL/PYRIDINE SERIES SUBSTITUED BY HYDROXYETHYLAMINO FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2014-07-10 | — | — | WO | claimed |
| WO-2014106606-A1 | NOVE PHENYL/PYRIDINE SERIES SUBSTITUED BY HYDROXYETHYLAMINO FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2014-07-10 | — | — | WO | disclosed |