Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | LTA4H | P09960 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5207888 | 1.00 | AHR (0.34) | AHRPDE5APDE4BTNNC1EPHX2 | |
| SCHEMBL15475108 | 0.80 | ALOX5 (0.32) | — | |
| SCHEMBL15475110 | 0.80 | ALOX5 (0.32) | — | |
| SCHEMBL6134671 | 0.78 | KCNH2 (0.34) | PDE5ATNNC1 | |
| SCHEMBL6134669 | 0.78 | KCNH2 (0.34) | PDE5ATNNC1 | |
| SCHEMBL15475166 | 0.78 | KCNH2 (0.38) | — | |
| SCHEMBL15475173 | 0.77 | HTR1D (0.33) | — | |
| SCHEMBL1172169 | 0.75 | TYR (0.44) | — | |
| SCHEMBL2791518 | 0.75 | TYR (0.44) | — | |
| SCHEMBL294216 | 0.73 | TNNC1 (0.40) | AHRPDE5ATNNC1TRPV1 |
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-0980867-B1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 2007-08-08 | — | — | EP | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |