Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.63 |
| ▸ | CDK1 | P06493 | 1/20 | 0.63 |
| ▸ | CDK4 | P11802 | 1/20 | 0.63 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.63 |
| ▸ | CCND1 | P24385 | 1/20 | 0.63 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.63 |
| ▸ | LCK | P06239 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | XDH | P47989 | 2/20 | 0.54 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.53 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5849926 | 0.78 | XDH (0.63) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL720795 | 0.78 | LCK (1.00) | LCKALDH1A1KDM4EMAPTLMNA | |
| SCHEMBL720794 | 0.78 | LCK (1.00) | LCKALDH1A1KDM4EMAPTLMNA | |
| SCHEMBL28799301 | 0.78 | CCNB2 (1.00) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL974375 | 0.78 | CCNB2 (1.00) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL690860 | 0.78 | CCNB2 (1.00) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL31125711 | 0.78 | CCNB2 (1.00) | CCNB2CDK1CDK4CCNB1CCND1 | |
| P-Hydroxycinnamaldehyde SCHEMBL20912952 | 0.75 | ALDH1A1 (1.00) | CCNB2CDK1CDK4CCNB1CCND1 | |
| P-Hydroxycinnamaldehyde SCHEMBL196960 | 0.75 | ALDH1A1 (1.00) | CCNB2CDK1CDK4CCNB1CCND1 | |
| P-Hydroxycinnamaldehyde SCHEMBL197453 | 0.75 | ALDH1A1 (1.00) | CCNB2CDK1CDK4CCNB1CCND1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008091555-A2 | NUCLEAR RECEPTOR BINDING AGENTS | GTX, INC. (US) | 2008-07-31 | — | — | WO | disclosed |
| US-5459142-A | Autoimmune disease, atherosclerosis, antiischemic agents and nephritis | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-10-17 | — | — | US | disclosed |
| EP-0511879-B1 | Pyrazine derivatives | OTSUKA PHARMA CO LTD (JP) | 1995-03-22 | — | — | EP | disclosed |
| EP-0511879-A1 | Pyrazine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-11-04 | — | — | EP | disclosed |