Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 9/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7411048 | 0.78 | LCK (0.36) | LCKCA12CA1CA9NAMPT | |
| SCHEMBL823328 | 0.76 | LMNA (0.39) | CA12CA1NAMPTLMNAPOLB | |
| SCHEMBL7402250 | 0.75 | RAB9A (0.48) | LMNA | |
| SCHEMBL26136853 | 0.74 | HPGD (0.56) | POLB | |
| SCHEMBL17430108 | 0.73 | RXFP1 (0.40) | LCKLMNAPOLB | |
| SCHEMBL24574915 | 0.73 | LCK (0.60) | LCKLMNAPOLBATR | |
| SCHEMBL4894126 | 0.72 | RXFP1 (0.40) | LCKLMNAPOLB | |
| SCHEMBL15237815 | 0.71 | KAT6A (0.44) | CA12CA1CA9NAMPTCYP17A1 | |
| SCHEMBL1534089 | 0.71 | NPC1 (0.58) | LMNAPOLB | |
| SCHEMBL2958365 | 0.70 | CYP17A1 (0.47) | CA12CA1CA9NAMPTCYP17A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900207-B1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-11-21 | — | — | EP | disclosed |
| CN-1222909-A | Pyrazinone thrombin inhibitors | MERCK & CO INC (US) | 1999-07-14 | — | — | CN | disclosed |
| EP-0900207-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-03-10 | — | — | EP | disclosed |
| US-5866573-A | Pyrazinone thrombin inhibitors | MERCK & CO., INC. (US) | 1999-02-02 | — | — | US | disclosed |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |