Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7364595 | 0.80 | ALDH1A1 (0.52) | KDM4EHPGDALDH1A1HSD17B10MYC | |
| SCHEMBL10892476 | 0.77 | TRPA1 (0.45) | ALDH1A1HSD17B10KMT2ACYP1A2MEN1 | |
| SCHEMBL9523771 | 0.76 | ALDH1A1 (0.51) | KDM4EHPGDALDH1A1HSD17B10MYC | |
| SCHEMBL6224766 | 0.76 | ALDH1A1 (0.59) | KDM4EHPGDALDH1A1HSD17B10MYC | |
| SCHEMBL8325236 | 0.74 | ALDH1A1 (0.57) | KDM4EHPGDALDH1A1HSD17B10MYC | |
| SCHEMBL11770869 | 0.74 | RAB9A (0.53) | KDM4EHPGDALDH1A1HSD17B10CYP2C9 | |
| SCHEMBL4597973 | 0.73 | CYP1A2 (0.61) | ALDH1A1HSD17B10CYP3A4CYP2C9KMT2A | |
| SCHEMBL9107285 | 0.73 | PLK1 (0.49) | KDM4EHPGDALDH1A1HSD17B10MYC | |
| SCHEMBL7280214 | 0.71 | CA12 (0.55) | KDM4EHPGDALDH1A1HSD17B10MYC | |
| SCHEMBL19847390 | 0.70 | ALDH1A1 (0.52) | KDM4EHPGDALDH1A1HSD17B10MYC |
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-1259506-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2002-11-27 | — | — | EP | disclosed |
| US-6387911-B1 | Pyrazinone thrombin inhibitors | MERCK & CO., INC. | 2002-05-14 | — | — | US | disclosed |
| WO-2001038323-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2001-05-31 | — | — | WO | disclosed |