Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.40 |
| ▸ | SSTR5 | P35346 | 6/20 | 0.38 |
| ▸ | FAAH | O00519 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1121547 | 0.93 | HDAC6 (0.42) | HDAC6PDE3BPDE3AP2RY12SSTR5 | |
| SCHEMBL1121548 | 0.84 | HDAC6 (0.39) | HDAC6SSTR5FAAHKCNH2KDR | |
| Hydrochloric Acid SCHEMBL1121926 | 0.84 | TLR7 (0.43) | HDAC6SSTR5FAAHKCNH2KDR | |
| Hydrochloric Acid SCHEMBL1121509 | 0.83 | TLR7 (0.43) | HDAC6PDE3BPDE3AP2RY12SSTR5 | |
| SCHEMBL4594314 | 0.81 | SSTR5 (0.46) | HDAC6SSTR5FAAHKCNH2TLR9 | |
| SCHEMBL1121777 | 0.80 | HDAC6 (0.46) | HDAC6SSTR5FAAHKCNH2KDR | |
| SCHEMBL1121855 | 0.80 | FAAH (0.44) | HDAC6SSTR5FAAHKCNH2TLR9 | |
| SCHEMBL1121582 | 0.80 | HDAC6 (0.45) | HDAC6SSTR5FAAHKCNH2KDR | |
| SCHEMBL1121588 | 0.79 | FAAH (0.44) | HDAC6SSTR5FAAHKDRTLR9 | |
| SCHEMBL1121546 | 0.79 | FAAH (0.52) | HDAC6SSTR5FAAHIRAK4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1924579-A2 | BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007025897-A2 | BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-08 | — | — | WO | disclosed |