Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951766 | 0.95 | PTGS2 (0.47) | PTGS2ALDH1A1KMT2AL3MBTL1HSD17B10 | |
| SCHEMBL8009451 | 0.95 | PTGS2 (0.47) | PTGS2ALDH1A1KMT2AL3MBTL1HSD17B10 | |
| SCHEMBL8427560 | 0.91 | PTGS2 (0.56) | PTGS2ALDH1A1KMT2AL3MBTL1KAT8 | |
| SCHEMBL8427561 | 0.91 | PTGS2 (0.56) | PTGS2ALDH1A1KMT2AL3MBTL1KAT8 | |
| SCHEMBL8428063 | 0.88 | PTGS2 (0.45) | PTGS2ALDH1A1KMT2AL3MBTL1KAT8 | |
| SCHEMBL8428064 | 0.88 | PTGS2 (0.45) | PTGS2ALDH1A1KMT2AL3MBTL1KAT8 | |
| SCHEMBL6950419 | 0.86 | PTGS2 (0.60) | PTGS2ALDH1A1KMT2AL3MBTL1KAT8 | |
| SCHEMBL6950421 | 0.86 | PTGS2 (0.60) | PTGS2ALDH1A1KMT2AL3MBTL1KAT8 | |
| SCHEMBL8424094 | 0.85 | KDM4E (0.46) | PTGS2ALDH1A1KMT2AL3MBTL1HSD17B10 | |
| SCHEMBL8424091 | 0.85 | KDM4E (0.46) | PTGS2ALDH1A1KMT2AL3MBTL1HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5869516-A | 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-02-09 | — | — | US | disclosed |