Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.50 |
| ▸ | METAP2 | P50579 | 1/20 | 0.49 |
| ▸ | METAP1 | P53582 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | WNT1 | P04628 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4046146 | 0.75 | METAP2 (0.64) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL4153600 | 0.75 | CLK2 (0.43) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL10737047 | 0.72 | METAP2 (0.51) | GSK3BMETAP2METAP1 | |
| SCHEMBL10735823 | 0.72 | METAP2 (0.51) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL4161109 | 0.71 | DHODH (0.50) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL10742407 | 0.69 | CCNB2 (0.51) | GSK3BCCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL10743109 | 0.69 | METAP2 (0.47) | GSK3BMETAP2METAP1GSK3A | |
| SCHEMBL10738052 | 0.69 | AURKA (0.64) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL10735517 | 0.69 | AURKA (0.64) | GSK3BCCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL4158223 | 0.68 | PKN1 (0.49) | GSK3BCDK5CDK5R1CCNB2CDK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | claimed |
| WO-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |