Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.95 |
| ▸ | CA9 | Q16790 | 5/20 | 0.95 |
| ▸ | CA1 | P00915 | 2/20 | 0.95 |
| ▸ | CA4 | P22748 | 2/20 | 0.95 |
| ▸ | CA6 | P23280 | 2/20 | 0.95 |
| ▸ | CA3 | P07451 | 1/20 | 0.95 |
| ▸ | CA5A | P35218 | 1/20 | 0.95 |
| ▸ | CA7 | P43166 | 1/20 | 0.95 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.95 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.95 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.50 |
| ▸ | F11 | P03951 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | DDO | Q99489 | 1/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30958273 | 0.98 | CA12 (1.00) | CA12CA9CA1CA4CA6 | |
| SCHEMBL8621 | 0.98 | CA12 (1.00) | CA12CA9CA1CA4CA6 | |
| SCHEMBL29351086 | 0.98 | CA12 (1.00) | CA12CA9CA1CA4CA6 | |
| SCHEMBL5437282 | 0.98 | CA12 (1.00) | CA12CA9CA1CA4CA6 | |
| SCHEMBL14353322 | 0.95 | CA12 (0.95) | CA12CA9CA1CA4CA6 | |
| Water SCHEMBL10661261 | 0.95 | CA12 (0.95) | CA12CA9CA1CA4CA6 | |
| Hydrochloric Acid SCHEMBL4429445 | 0.95 | CA12 (0.95) | CA12CA9CA1CA4CA6 | |
| SCHEMBL30804598 | 0.95 | CA12 (0.95) | CA12CA9CA1CA4CA6 | |
| Charcoal, Activated SCHEMBL30805655 | 0.95 | CA12 (0.95) | CA12CA9CA1CA4CA6 | |
| Hydrochloric Acid SCHEMBL1824447 | 0.95 | CA12 (0.95) | CA12CA9CA1CA4CA6 |
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-6855726-B1 | Quinolones as serine protease inhibitors | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-15 | — | — | US | disclosed |
| EP-1091955-A1 | QUINOLONES AS SERINE PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-1999050263-A1 | QUINOLONES AS SERINE PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1999-10-07 | — | — | WO | disclosed |