Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MDM4 | O15151 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6949544 | 1.00 | PTGS2 (0.47) | PTGS2ALDH1A1KMT2AL3MBTL1THRB | |
| SCHEMBL8428064 | 0.95 | PTGS2 (0.45) | PTGS2ALDH1A1KMT2AL3MBTL1THRB | |
| SCHEMBL8428063 | 0.95 | PTGS2 (0.45) | PTGS2ALDH1A1KMT2AL3MBTL1THRB | |
| SCHEMBL6949810 | 0.92 | KMT2A (0.47) | PTGS2ALDH1A1KMT2AL3MBTL1MEN1 | |
| SCHEMBL6949812 | 0.92 | KMT2A (0.47) | PTGS2ALDH1A1KMT2AL3MBTL1MEN1 | |
| SCHEMBL6950421 | 0.88 | PTGS2 (0.60) | PTGS2ALDH1A1KMT2AL3MBTL1NPSR1 | |
| SCHEMBL6950419 | 0.88 | PTGS2 (0.60) | PTGS2ALDH1A1KMT2AL3MBTL1NPSR1 | |
| SCHEMBL8424072 | 0.87 | KMT2A (0.43) | PTGS2ALDH1A1KMT2AL3MBTL1MEN1 | |
| SCHEMBL8424070 | 0.87 | KMT2A (0.43) | PTGS2ALDH1A1KMT2AL3MBTL1MEN1 | |
| SCHEMBL6947265 | 0.87 | KAT8 (0.42) | PTGS2ALDH1A1KMT2AL3MBTL1MEN1 |
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-0743304-B1 | 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones | MERCK PATENT GMBH (DE) | 2003-03-26 | — | — | EP | claimed |
| US-6034099-A | Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones | CELL PATHWAYS, INC. (US) | 2000-03-07 | — | — | US | claimed |
| EP-0743304-A1 | 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones | MERCK PATENT GmbH (DE) | 1996-11-20 | — | — | EP | claimed |
| EP-0743304-B1 | 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones | MERCK PATENT GMBH (DE) | 2003-03-26 | — | — | EP | disclosed |
| US-6034099-A | Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones | CELL PATHWAYS, INC. (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0930881-A1 | PYRAZOLINONES TO TREAT DISTURBANCES OF POTENCY | MERCK PATENT GmbH (DE) | 1999-07-28 | — | — | EP | disclosed |
| US-5869516-A | 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-02-09 | — | — | US | disclosed |
| WO-1998016224-A1 | PYRAZOLINONES TO TREAT DISTURBANCES OF POTENCY | MERCK PATENT GMBH (DE) | 1998-04-23 | — | — | WO | disclosed |
| EP-0743304-A1 | 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones | MERCK PATENT GmbH (DE) | 1996-11-20 | — | — | EP | disclosed |