Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 7/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA6 | P23280 | 3/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 5/20 | 0.40 |
| ▸ | FEN1 | P39748 | 5/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8660549 | 0.87 | CA1 (0.43) | ALDH1A1CA2CA1CA9CA12 | |
| SCHEMBL8661194 | 0.86 | PTGS2 (0.50) | KDM4EALDH1A1ALOX5APFEN1PTGS1 | |
| SCHEMBL8659136 | 0.85 | CA1 (0.44) | CA2CA1CA9CA12CA6 | |
| SCHEMBL8659816 | 0.84 | CA2 (0.50) | CA2CA1CA9CA12CA6 | |
| SCHEMBL8656801 | 0.82 | ALOX5AP (0.49) | CA2CA1CA9CA12CA6 | |
| SCHEMBL8660231 | 0.82 | CA2 (0.41) | CA2CA1CA9CA12CA6 | |
| SCHEMBL8661461 | 0.82 | ALOX5AP (0.44) | CA2CA1CA9CA12CA6 | |
| SCHEMBL8661256 | 0.82 | PTGES2 (0.46) | CA2CA1CA9CA12CA6 | |
| SCHEMBL8660044 | 0.81 | PTGS2 (0.43) | KDM4EALDH1A1CA2CA1CA9 | |
| SCHEMBL8347239 | 0.81 | CA2 (0.58) | KDM4ECA2CA1CA9CA12 |
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 |