Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL7366128 | 0.79 | KMT2A (0.47) | KMT2AALDH1A1MEN1PKMMAPK1 | |
| SCHEMBL11177842 | 0.78 | ALDH1A1 (0.49) | KMT2AALDH1A1MEN1PKMMAPK1 | |
| Methane SCHEMBL7366133 | 0.76 | ALDH1A1 (0.47) | KMT2AALDH1A1MEN1PKMMAPK1 | |
| SCHEMBL928872 | 0.74 | MEN1 (0.50) | KMT2AALDH1A1MEN1PKMMAPK1 | |
| SCHEMBL29940891 | 0.72 | ALDH1A1 (0.54) | KMT2AALDH1A1MEN1PKMMAPK1 | |
| SCHEMBL26963703 | 0.72 | ALDH1A1 (0.54) | KMT2AALDH1A1MEN1PKMMAPK1 | |
| SCHEMBL930356 | 0.71 | ALDH1A1 (0.54) | KMT2AALDH1A1MEN1PKMMAPK1 | |
| SCHEMBL10430902 | 0.69 | ALDH1A1 (0.68) | KMT2AALDH1A1MEN1PKMMAPK1 | |
| SCHEMBL29843133 | 0.69 | ALDH1A1 (0.68) | KMT2AALDH1A1MEN1PKMMAPK1 | |
| SCHEMBL399990 | 0.69 | ALDH1A1 (0.54) | KMT2AALDH1A1MEN1PKMMAPK1 |
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 |