Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MBTPS1 | Q14703 | 3/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | IDH1 | O75874 | 2/20 | 0.34 |
| ▸ | GCK | P35557 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4594161 | 0.93 | NFKB1 (0.38) | NPC1RAB9ASMN1; SMN2MBTPS1HTR2A | |
| SCHEMBL4593487 | 0.92 | TRPV1 (0.38) | NPC1RAB9ASMN1; SMN2MBTPS1TRPV1 | |
| SCHEMBL4594509 | 0.83 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2MBTPS1HTR2A | |
| SCHEMBL4593898 | 0.81 | SSTR5 (0.45) | NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4 | |
| SCHEMBL4594412 | 0.81 | HDAC6 (0.38) | NPC1RAB9AMBTPS1HTR2AIDH1 | |
| SCHEMBL4594897 | 0.79 | HTR2A (0.34) | MBTPS1HTR2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4593295 | 0.79 | TP53 (0.39) | MBTPS1HTR2AGCKSLC6A9SLC6A5 | |
| SCHEMBL4259000 | 0.78 | GCK (0.44) | MBTPS1GCKSLC6A9SLC6A5 | |
| SCHEMBL4593554 | 0.78 | SSTR5 (0.36) | NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4 | |
| SCHEMBL4594371 | 0.78 | SSTR5 (0.46) | — |
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 4 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 | claimed |
| WO-2007025897-A2 | BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-08 | — | — | WO | claimed |
| 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 |