Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA7 | P43166 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27532012 | 0.82 | CA12 (0.50) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL8772807 | 0.82 | CA12 (0.44) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL27287168 | 0.81 | CA12 (0.49) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10614011 | 0.80 | HTT (0.37) | ALDH1A1LMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9024476 | 0.79 | CA12 (0.47) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL7492169 | 0.77 | CA12 (0.54) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL6136451 | 0.76 | NPC1 (0.48) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL9658861 | 0.75 | CA12 (0.57) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL128776 | 0.75 | CA12 (0.53) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL3149483 | 0.74 | CA12 (0.51) | ALDH1A1CA12CA1CA2CA7 |
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 |