Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.42 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950421 | 1.00 | PTGS2 (0.60) | PTGS2CA1CA2CA9KAT8 | |
| SCHEMBL8427561 | 0.95 | PTGS2 (0.56) | PTGS2CA1CA2CA9KAT8 | |
| SCHEMBL8427560 | 0.95 | PTGS2 (0.56) | PTGS2CA1CA2CA9KAT8 | |
| SCHEMBL9525776 | 0.89 | ALDH1A1 (0.53) | PTGS2ALDH1A1KMT2AL3MBTL1MEN1 | |
| SCHEMBL6951766 | 0.89 | PTGS2 (0.47) | PTGS2CA1CA2CA9KAT8 | |
| SCHEMBL8009451 | 0.89 | PTGS2 (0.47) | PTGS2CA1CA2CA9KAT8 | |
| SCHEMBL6949544 | 0.88 | PTGS2 (0.47) | PTGS2CA1CA2CA9KAT8 | |
| SCHEMBL6949542 | 0.88 | PTGS2 (0.47) | PTGS2CA1CA2CA9KAT8 | |
| SCHEMBL6942491 | 0.86 | PTGS2 (0.47) | PTGS2CA1CA2CA9KAT8 | |
| SCHEMBL6942495 | 0.86 | PTGS2 (0.47) | PTGS2CA1CA2CA9KAT8 |
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 6 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 | 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 |