Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 4/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8656757 | 0.90 | PTGES2 (0.41) | PTGES2ADORA2AADORA1F10 | |
| SCHEMBL8661361 | 0.86 | MAPT (0.49) | F10 | |
| SCHEMBL4662753 | 0.84 | PTGES2 (0.59) | PTGES2ADORA2AADORA1F10HSP90AA1 | |
| SCHEMBL8662849 | 0.83 | NPC1 (0.40) | ADORA2AF10AKR1C3AKR1C2CA2 | |
| SCHEMBL8659722 | 0.83 | CA2 (0.45) | PTGES2DHODHF10MAOBCA2 | |
| SCHEMBL8658454 | 0.82 | PTGS2 (0.54) | F10 | |
| SCHEMBL8659866 | 0.82 | PTGS2 (0.45) | ADORA2AF10 | |
| SCHEMBL8661770 | 0.81 | PTGS2 (0.60) | — | |
| SCHEMBL8660008 | 0.81 | PTGS2 (0.50) | PTGES2ACLY | |
| SCHEMBL8657999 | 0.81 | PTGES2 (0.56) | PTGES2ADORA2AADORA1F10HSP90AA1 |
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-5739166-A | ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT | G.D. SEARLE & CO. (US) | 1998-04-14 | — | — | US | disclosed |