Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3235384 | 0.98 | KMT2A (0.43) | KMT2AMEN1HPGDGAATSHR | |
| SCHEMBL2565075 | 0.85 | ALDH1A1 (0.50) | KMT2AMEN1HPGDGAATSHR | |
| SCHEMBL12869897 | 0.82 | MEN1 (0.54) | KMT2AMEN1HPGDTSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL5847443 | 0.79 | LMNA (0.54) | KMT2AMEN1GAATSHRNPBWR1 | |
| SCHEMBL347257 | 0.79 | MEN1 (0.56) | KMT2AMEN1HPGDALDH1A1LMNA | |
| SCHEMBL22370929 | 0.79 | MEN1 (0.56) | KMT2AMEN1HPGDALDH1A1LMNA | |
| SCHEMBL27171240 | 0.79 | MEN1 (0.56) | KMT2AMEN1HPGDALDH1A1LMNA | |
| SCHEMBL20135421 | 0.78 | KMT2A (0.46) | KMT2AMEN1HPGDGAATSHR | |
| SCHEMBL20135418 | 0.78 | KMT2A (0.46) | KMT2AMEN1HPGDGAATSHR | |
| SCHEMBL7137696 | 0.74 | PGR (0.34) | TDP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1589029-B1 | Pyrazinone protease inhibitors | ORTHO MCNEIL PHARM INC (US) | 2010-03-17 | — | — | EP | claimed |
| US-6506761-B1 | Compound of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| US-6506760-B1 | Compounds of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| EP-1017393-A4 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-01-23 | — | — | EP | disclosed |
| EP-0934305-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-1017393-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-07-12 | — | — | EP | disclosed |
| EP-0934305-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1999011267-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1999-03-11 | — | — | WO | disclosed |
| WO-1998008840-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-03-05 | — | — | WO | disclosed |