Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.48 |
| ▸ | CA2 | P00918 | 9/20 | 0.48 |
| ▸ | CA9 | Q16790 | 8/20 | 0.48 |
| ▸ | CA12 | O43570 | 7/20 | 0.48 |
| ▸ | CA6 | P23280 | 4/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | CA4 | P22748 | 3/20 | 0.48 |
| ▸ | CA5A | P35218 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.44 |
| ▸ | FEN1 | P39748 | 4/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30940556 | 0.92 | CA1 (0.52) | CA1CA2CA9CA12CA6 | |
| SCHEMBL890792 | 0.92 | CA1 (0.52) | CA1CA2CA9CA12CA6 | |
| SCHEMBL8659843 | 0.86 | CA2 (0.48) | CA1CA2CA9CA12CA6 | |
| SCHEMBL8350056 | 0.84 | CA1 (0.54) | CA1CA2CA9CA12CA6 | |
| SCHEMBL8347239 | 0.84 | CA2 (0.58) | CA1CA2CA9CA12CA6 | |
| SCHEMBL8659816 | 0.84 | CA2 (0.50) | CA1CA2CA9CA12CA6 | |
| SCHEMBL8657273 | 0.84 | PTGS2 (0.69) | CA1CA2CA9CA12CA6 | |
| SCHEMBL8661275 | 0.84 | PTGS2 (0.69) | CA1CA2CA9CA12CA6 | |
| SCHEMBL8657376 | 0.84 | ABL1 (0.53) | CA1CA2CA9CA12CA6 | |
| SCHEMBL1080972 | 0.82 | CA2 (0.61) | CA1CA2CA9CA12CA6 |
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 |