Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 8/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8200034 | 0.94 | PTGS2 (0.42) | PTGS2PTGS1MAPTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL8202139 | 0.88 | MAPT (0.44) | PTGS2PTGS1MAPTNPC1RAB9A | |
| SCHEMBL8197102 | 0.87 | MAPT (0.42) | PTGS2PTGS1MAPTNPC1RAB9A | |
| SCHEMBL8196977 | 0.85 | APP (0.41) | MAPTNPC1RAB9AMAPK1MEN1 | |
| SCHEMBL8196966 | 0.85 | MAPT (0.41) | PTGS2PTGS1MAPTNPC1RAB9A | |
| SCHEMBL8201936 | 0.84 | RAF1 (0.42) | PTGS2PTGS1MAPTNPC1RAB9A | |
| SCHEMBL8197051 | 0.82 | KMT2A (0.55) | MAPTNPC1RAB9AMAPK1MEN1 | |
| SCHEMBL8196861 | 0.80 | PTGS2 (0.43) | PTGS2PTGS1RAB9AMEN1KMT2A | |
| SCHEMBL8196192 | 0.80 | CA2 (0.39) | PTGS2PTGS1MAPTNPC1RAB9A | |
| SCHEMBL8202086 | 0.77 | RAF1 (0.41) | PTGS2PTGS1MAPTNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | disclosed |