Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | MKNK1 | Q9BUB5 | 6/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 6/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | INCENP | Q9NQS7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7905484 | 0.86 | MEN1 (0.50) | MKNK1MKNK2CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL7346763 | 0.83 | TDO2 (0.50) | KIF11 | |
| SCHEMBL7905834 | 0.82 | CXCR2 (0.45) | PLK1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29666522 | 0.79 | CYP2A6 (0.65) | MKNK1MKNK2CA12CA1CA2 | |
| SCHEMBL17194812 | 0.79 | CYP2A6 (0.65) | MKNK1MKNK2CA12CA1CA2 | |
| SCHEMBL4538709 | 0.76 | MAPKAPK2 (0.50) | PLK1MKNK2CYP3A4AURKBPRKCD | |
| SCHEMBL15158543 | 0.76 | CYP1A2 (0.60) | MKNK1MKNK2CA12CA1CA2 | |
| SCHEMBL15158491 | 0.74 | CYP1A2 (0.58) | MKNK1MKNK2CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL21012613 | 0.74 | CYP2A6 (0.58) | MKNK1MKNK2CA12CA1CA2 | |
| SCHEMBL7913081 | 0.73 | HDAC3 (0.46) | MEN1SYKAURKBCYP11B2ABL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6211220-B1 | ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS | CELL PATHWAYS, INC. | 2001-04-03 | — | — | US | claimed |
| US-6211220-B1 | ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS | CELL PATHWAYS, INC. | 2001-04-03 | — | — | US | disclosed |
| WO-1994029277-A1 | AMILINO- OR PYRIDYLAMINO- CYCLOBUTENE- 1,2-DIONE DERIVATIVES AS cGMP PHOSPHODIESTERASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1994-12-22 | — | — | WO | disclosed |