Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PHGDH | O43175 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8196087 | 0.93 | PTGS2 (0.41) | PTGS2PTGS1CA2CA1CA5A | |
| SCHEMBL8202086 | 0.87 | RAF1 (0.41) | PTGS2PTGS1CA2NPC1MAPT | |
| SCHEMBL8188094 | 0.85 | MEN1 (0.45) | CA2NPC1RAB9AMEN1POLB | |
| SCHEMBL8196192 | 0.85 | CA2 (0.39) | PTGS2PTGS1CA2NPC1MAPT | |
| SCHEMBL8202081 | 0.83 | KMT2A (0.53) | CA2NPC1MAPTRAB9AMEN1 | |
| SCHEMBL8195997 | 0.81 | BCHE (0.43) | CA2NPC1MAPTRAB9AMEN1 | |
| SCHEMBL8201936 | 0.80 | RAF1 (0.42) | PTGS2PTGS1CA2NPC1MAPT | |
| SCHEMBL8195766 | 0.79 | CA2 (0.40) | CA2NPC1MAPTRAB9AMEN1 | |
| SCHEMBL8196977 | 0.78 | APP (0.41) | CA2NPC1MAPTRAB9AMEN1 | |
| SCHEMBL8188503 | 0.78 | PTGS2 (0.40) | PTGS2PTGS1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | claimed |
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | disclosed |