Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | PREP | P48147 | 4/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23753291 | 0.88 | CA12 (0.45) | CA12CA1CA9PREP | |
| SCHEMBL2292629 | 0.87 | CA12 (0.44) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL6256072 | 0.87 | CA12 (0.48) | CA12CA1CA9PREPDRD2 | |
| SCHEMBL14157316 | 0.85 | CA12 (0.43) | CA12CA1CA9PREPDRD2 | |
| SCHEMBL23064445 | 0.83 | CA12 (0.44) | CA12CA1CA9PREPDRD2 | |
| SCHEMBL17621250 | 0.82 | CA12 (0.43) | CA12CA1CA9PREP | |
| SCHEMBL16865821 | 0.81 | CA12 (0.40) | CA12CA1CA9PREP | |
| SCHEMBL15876183 | 0.80 | HSD17B10 (0.43) | CA12CA1CA9PREP | |
| SCHEMBL6768684 | 0.80 | CA12 (0.44) | CA12CA1CA9PREPDRD2 | |
| SCHEMBL4978286 | 0.80 | CA12 (0.44) | CA12CA1CA9PREPDRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536745-A | (Hetero)-aryl ketones derivatives with antibacterial properties | SMITHKLINE BEECHAM P.L.C. (GB) | 1996-07-16 | — | — | US | disclosed |
| EP-0652875-A1 | (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 1995-05-17 | — | — | EP | disclosed |
| WO-1994002478-A1 | (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 1994-02-03 | — | — | WO | disclosed |