Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.36 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24040189 | 0.77 | CYP2A6 (0.60) | CYP2A6CYP2C19CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL10367404 | 0.73 | CYP2A6 (0.51) | CYP2A6CYP2C19CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL5728736 | 0.73 | CYP2A6 (0.71) | CYP2A6CYP2C19CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL27968489 | 0.73 | CYP2A6 (0.60) | CYP2A6CYP2C19CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL11624972 | 0.73 | CYP2A6 (0.60) | CYP2A6CYP2C19CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL29061716 | 0.72 | CYP2E1 (0.55) | CYP2A6CYP2C19CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL10084289 | 0.72 | CYP2A6 (0.64) | CYP2A6CYP2C19CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL18876487 | 0.71 | CYP2E1 (0.53) | CYP2A6CYP2C19CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL7451222 | 0.70 | CYP2A6 (0.51) | CYP2A6CYP2C19CYP2C9CYP2E1CYP3A4 | |
| SCHEMBL13680908 | 0.69 | CYP2A6 (0.55) | CYP2A6CYP2C19CYP2C9CYP2E1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0164075-B1 | 7-OXABICYCLOHEPTANE SUBSTITUTED THIO PROSTAGLANDIN ANALOGS | E.R. Squibb & Sons, Inc. (US) | 1990-09-12 | — | — | EP | disclosed |
| US-4560698-A | ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, BRONCHODILATOR, VASODILATION, ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1985-12-24 | — | — | US | disclosed |
| EP-0164075-A2 | 7-Oxabicycloheptane substituted thio prostaglandin analogs | E.R. Squibb & Sons, Inc. (US) | 1985-12-11 | — | — | EP | disclosed |