Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 10/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2494737 | 0.82 | NOTUM (0.73) | CYP19A1NPC1RAB9ANOTUMHRH4 | |
| SCHEMBL12205813 | 0.81 | CYP19A1 (0.65) | CYP19A1NPC1RAB9AHRH4HSP90AB1 | |
| SCHEMBL28923930 | 0.79 | CYP19A1 (0.58) | CYP19A1NPC1RAB9AHRH4HSP90AB1 | |
| SCHEMBL936305 | 0.78 | CYP19A1 (0.61) | CYP19A1NPC1RAB9AHRH4HSP90AB1 | |
| SCHEMBL3103838 | 0.77 | CYP19A1 (0.68) | CYP19A1NPC1RAB9ANOTUMHRH4 | |
| SCHEMBL12022159 | 0.77 | KCNMA1 (0.69) | CYP19A1NPC1RAB9AHRH4HSP90AB1 | |
| SCHEMBL16831504 | 0.77 | CYP19A1 (0.69) | CYP19A1NPC1RAB9ANOTUMHRH4 | |
| Acetic Acid SCHEMBL28329957 | 0.76 | NOTUM (0.63) | CYP19A1NPC1RAB9ANOTUMHRH4 | |
| SCHEMBL15796292 | 0.76 | CYP19A1 (0.72) | CYP19A1NPC1RAB9ANOTUMHRH4 | |
| SCHEMBL2194279 | 0.76 | CYP19A1 (0.77) | CYP19A1NPC1RAB9AHRH4HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011009934-A1 | TRIS(1,2,3-TRIAZOL-4-YL)METHANE ORGANOMETALLIC COMPOUNDS AS CATALYSTS AND PROCESSES USING THEM. | INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) | 2011-01-27 | — | — | WO | disclosed |