Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | TYMP | P19971 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11014522 | 0.86 | TYMP (0.40) | CA12CA1CA2CA9MAOA | |
| SCHEMBL11548088 | 0.83 | KDM4E (0.42) | CA12CA1CA2CA9MAOA | |
| SCHEMBL28262475 | 0.76 | CA2 (0.41) | CA12CA1CA2CA9MAOA | |
| SCHEMBL7808570 | 0.72 | AHR (0.45) | TYMPCXCR2HRH1NPC1RAB9A | |
| SCHEMBL2552851 | 0.72 | TYMP (0.41) | TYMPCXCR2HRH1NPC1RAB9A | |
| SCHEMBL3130583 | 0.69 | CXCR2 (0.48) | CXCR2NPC1RAB9AKMOAHR | |
| SCHEMBL11546444 | 0.68 | KDM4E (0.40) | TYMPPTGS2PTGS1CXCR2NPC1 | |
| SCHEMBL2944949 | 0.67 | MAPK13 (0.49) | CXCR2NPC1RAB9AKMOAHR | |
| SCHEMBL31305411 | 0.67 | MAPK13 (0.49) | CXCR2NPC1RAB9AKMOAHR | |
| SCHEMBL27969798 | 0.67 | TYMP (0.40) | TYMPCXCR2KMOABL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4179512-A | XANTHINE OXIDASE INHIBITORS, HYPOTENSIVE | MERCK & CO., INC. (US) | 1979-12-18 | — | — | US | claimed |