Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | CA3 | P07451 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | MMP3 | P08254 | 1/20 | 0.53 |
| ▸ | P4HB | P07237 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydroquinone SCHEMBL438337 | 0.84 | HSD17B10 (0.42) | CA12CA2CA3CA6CA9 | |
| SCHEMBL472164 | 0.78 | ESR1 (0.50) | MMP3MAOBALDH1A1 | |
| 4-Cyanophenol SCHEMBL28811803 | 0.77 | CA2 (1.00) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL50814 | 0.77 | — | — | |
| 4-Cyanophenol SCHEMBL27294505 | 0.77 | CA2 (1.00) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL28947740 | 0.76 | ALDH1A1 (0.50) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL4820911 | 0.75 | CA2 (0.84) | CA12CA2CA3CA6CA9 | |
| SCHEMBL1712359 | 0.75 | GSK3B (0.51) | CA2P4HBALDH1A1GSK3B | |
| 4-Cyanophenol SCHEMBL28089570 | 0.75 | CA2 (0.94) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL7393582 | 0.75 | CA2 (0.94) | CA12CA2CA3CA6CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691349-A | ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS | ZENECA LIMITED (GB) | 1997-11-25 | — | — | US | disclosed |
| EP-0654032-B1 | QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS | ZENECA LTD (GB) | 1997-10-15 | — | — | EP | disclosed |
| EP-0654032-A1 | QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. | ZENECA LTD (GB) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003451-A1 | QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS | ZENECA LIMITED (GB) | 1994-02-17 | — | — | WO | disclosed |