Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 5/20 | 0.36 |
| ▸ | PTPRB | P23467 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 5/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 2/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7403603 | 0.78 | LCK (0.41) | LCKCA12CA1CA9NAMPT | |
| SCHEMBL24574915 | 0.66 | LCK (0.60) | LCK | |
| SCHEMBL3757121 | 0.66 | PSMD14 (0.33) | — | |
| SCHEMBL1534089 | 0.65 | NPC1 (0.58) | — | |
| SCHEMBL9442761 | 0.65 | RAD52 (0.40) | CA12CA1CA9CA2CA14 | |
| SCHEMBL11038499 | 0.64 | RAD52 (0.34) | CA12CA1CA9CA2CA7 | |
| SCHEMBL21681358 | 0.64 | LCK (0.46) | LCK | |
| SCHEMBL11528687 | 0.63 | KDM4E (0.40) | — | |
| SCHEMBL7218375 | 0.62 | ALOX15 (0.42) | LCKCA12CA1CA7CA14 | |
| SCHEMBL11440959 | 0.62 | NPSR1 (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0900207-B1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-11-21 | — | — | EP | 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 |