Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2928194 | 0.88 | CYP2A6 (0.48) | CYP2A6 | |
| SCHEMBL14762212 | 0.86 | NFE2L2 (0.46) | — | |
| SCHEMBL6397560 | 0.86 | ESR1 (0.46) | ALDH1A1CYP1A2 | |
| SCHEMBL512987 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP2A6 | |
| SCHEMBL14829657 | 0.80 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL14829649 | 0.73 | LMNA (0.32) | — | |
| SCHEMBL348622 | 0.58 | TSHR (0.52) | ALDH1A1CYP1A2 | |
| SCHEMBL1825727 | 0.58 | CYP1A2 (0.64) | ALDH1A1CYP1A2 | |
| SCHEMBL1825729 | 0.58 | CYP1A2 (0.64) | ALDH1A1CYP1A2 | |
| SCHEMBL28648654 | 0.55 | KIF11 (0.35) | ALDH1A1 |
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-6906226-B2 | Hydroxymethyl-substituted polyfunctional phenols | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2005-06-14 | — | — | US | disclosed |
| EP-1501830-A1 | 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES | Actelion Pharmaceuticals Ltd. (CH) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093267-A1 | 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES | ACTELION PHARMACEUTICALS LTD (CH) | 2003-11-13 | — | — | WO | disclosed |