Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.43 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 2/20 | 0.38 |
| ▸ | CCND1 | P24385 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11719132 | 0.98 | TLR8 (0.44) | TLR8SLC9A1ALDH1A1HTTCNR1 | |
| SCHEMBL4142894 | 0.95 | TLR8 (0.41) | TLR8SLC9A1ALDH1A1CNR1CNR2 | |
| SCHEMBL1200553 | 0.87 | POLB (0.39) | TLR8SLC9A1ALDH1A1HTTCNR2 | |
| SCHEMBL6753315 | 0.81 | CDK4 (0.35) | ALDH1A1CNR1CNR2CDK4CCND1 | |
| SCHEMBL6755277 | 0.80 | HTR2A (0.45) | ALDH1A1CNR1CDK4CCND1CYP1A2 | |
| SCHEMBL5497336 | 0.80 | CYP1A2 (0.35) | SLC9A1ALDH1A1HTTCDK4CCND1 | |
| SCHEMBL5254830 | 0.77 | CDK4 (0.35) | ALDH1A1CNR2CDK4CCND1 | |
| SCHEMBL6753797 | 0.76 | HTR2C (0.56) | ALDH1A1HTTCNR2CDK4CCND1 | |
| SCHEMBL5037054 | 0.75 | TLR8 (0.30) | TLR8 | |
| SCHEMBL6754260 | 0.75 | SMN1; SMN2 (0.33) | HTTCDK4CCND1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017060287-A1 | PROCESS FOR THE PREPARATION OF ENCENICLINE FROM 7-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID CHLORIDE AND (R)-QUINUCLIDIN-3-AMINE IN THE PRESENCE OF IMIDAZOLE | SANDOZ AG (CH) | 2017-04-13 | — | — | WO | disclosed |
| EP-1940759-A1 | INTRAMOLECULAR PRINS REACTION AND CATALYSTS SUITABLE THEREFOR (CITRONELLAL TO ISOPULEGOL) | Symrise GmbH & Co. KG (DE) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007039366-A1 | INTRAMOLECULAR PRINS REACTION AND CATALYSTS SUITABLE THEREFOR (CITRONELLAL TO ISOPULEGOL) | SYMRISE GMBH & CO. KG (DE) | 2007-04-12 | — | — | WO | disclosed |