Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.45 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.44 |
| ▸ | TYMP | P19971 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 4/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL4658269 | 0.81 | KMO (0.40) | AHRCXCR2TYMPNPC1RAB9A | |
| SCHEMBL4658006 | 0.80 | AHR (0.37) | AHRCXCR2TYMPNPC1RAB9A | |
| SCHEMBL4657944 | 0.78 | KDM4E (0.40) | TYMPNPC1RAB9ANOTUM | |
| SCHEMBL3130583 | 0.75 | CXCR2 (0.48) | AHRCXCR2NPC1RAB9AKMO | |
| SCHEMBL2552851 | 0.75 | TYMP (0.41) | AHRCXCR2TYMPNPC1RAB9A | |
| SCHEMBL11014522 | 0.73 | TYMP (0.40) | AHRCXCR2TYMPNPC1RAB9A | |
| SCHEMBL31305411 | 0.72 | MAPK13 (0.49) | AHRCXCR2NPC1RAB9AKMO | |
| SCHEMBL2944949 | 0.72 | MAPK13 (0.49) | AHRCXCR2NPC1RAB9AKMO | |
| SCHEMBL11545138 | 0.72 | CA12 (0.44) | AHRCXCR2TYMPNPC1RAB9A | |
| SCHEMBL1719052 | 0.71 | AHR (0.45) | AHRCXCR2TYMPNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |