Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL618853 | 0.83 | BACE1 (0.39) | CYP2A6CYP2B6 | |
| SCHEMBL7058734 | 0.81 | CYP2A6 (0.70) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL27629739 | 0.79 | ALDH1A1 (0.41) | CYP2A6CYP3A4 | |
| SCHEMBL445102 | 0.79 | ALDH1A1 (0.41) | CYP2A6CYP3A4 | |
| SCHEMBL3870533 | 0.79 | BACE1 (0.36) | CYP2A6CYP2B6 | |
| SCHEMBL6880077 | 0.79 | ALDH1A1 (0.41) | CYP2A6CYP3A4 | |
| SCHEMBL6474583 | 0.79 | BACE1 (0.36) | CYP2A6CYP2B6 | |
| SCHEMBL27870289 | 0.79 | CYP2A6 (0.67) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL9957984 | 0.77 | NOTUM (0.52) | ADORA1ADORA2A | |
| SCHEMBL9958265 | 0.77 | NOTUM (0.52) | ADORA1ADORA2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2006525329-A | — | — | 2006-11-09 | — | — | JP | claimed |
| EP-1701954-A1 | N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES | Warner-Lambert Company LLC (US) | 2006-09-20 | — | — | EP | claimed |
| EP-1620420-A2 | SUBSTITUTED CARBOXYLIC ACIDS | The Institutes for Pharmaceutical Discovery, LLC (US) | 2006-02-01 | — | — | EP | claimed |
| WO-2005066165-A1 | N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES | WARNER-LAMBERT COMPANY LLC (US) | 2005-07-21 | — | — | WO | claimed |
| WO-2004099168-A2 | SUBSTITUTED CARBOXYLIC ACIDS | THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) | 2004-11-18 | — | — | WO | claimed |
| EP-1620420-A2 | SUBSTITUTED CARBOXYLIC ACIDS | The Institutes for Pharmaceutical Discovery, LLC (US) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004099168-A2 | SUBSTITUTED CARBOXYLIC ACIDS | THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) | 2004-11-18 | — | — | WO | disclosed |