Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL1159186 | 0.81 | PARP1 (0.53) | PARP1CHEK1GSK3BCLK1DYRK1A | |
| SCHEMBL30360459 | 0.76 | — | — | |
| SCHEMBL211613 | 0.76 | — | — | |
| SCHEMBL30692017 | 0.71 | PARP1 (0.53) | PARP1CYP2C19KDM4ELMNAPDE3B | |
| SCHEMBL243725 | 0.71 | PARP1 (0.53) | PARP1CYP2C19KDM4ELMNAPDE3B | |
| Bromide SCHEMBL2246198 | 0.70 | PARP1 (0.52) | PARP1CYP2C19KDM4ELMNAPDE3B | |
| SCHEMBL30183020 | 0.65 | HTT (0.59) | NCOA3CCNT1CDK9HASPINCYP2C19 | |
| SCHEMBL7015267 | 0.64 | HTT (0.73) | NCOA3CCNT1CDK9HASPINCYP2C19 | |
| Hydrochloric Acid SCHEMBL31354899 | 0.64 | HTT (0.58) | NCOA3CCNT1CDK9HASPINCYP2C19 | |
| SCHEMBL31212782 | 0.62 | PARP1 (0.78) | PARP1CHEK1KDM4ELMNAHPGD |
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-1706412-A4 | NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | SK CHEMICALS CO LTD (KR) | 2009-03-18 | — | — | EP | disclosed |
| EP-1706412-A1 | NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | SK Chemicals, Co., Ltd. (KR) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005063768-A1 | NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | SK CHEMICALS, CO., LTD. (KR) | 2005-07-14 | — | — | WO | disclosed |