Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | BRS3 | P32247 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 5/20 | 0.37 |
| ▸ | CDK2 | P24941 | 5/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31140237 | 0.78 | CYP2D6 (0.51) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL10130785 | 0.78 | CYP2D6 (0.51) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL4750423 | 0.77 | CYP2A6 (0.58) | CYP2D6CYP19A1CYP2C9CYP2C19CA12 | |
| SCHEMBL14024057 | 0.77 | CYP2A6 (0.58) | CYP2D6CYP19A1CYP2C9CYP2C19CA12 | |
| SCHEMBL7615000 | 0.77 | TPH1 (0.55) | PIM1PIM2 | |
| SCHEMBL7615005 | 0.77 | TPH1 (0.55) | PIM1PIM2 | |
| SCHEMBL21222736 | 0.75 | CYP2A6 (0.55) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL11541937 | 0.74 | CYP2D6 (0.60) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL14024068 | 0.74 | HDAC4 (0.42) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL14025121 | 0.73 | MAPT (0.40) | AKT1CDK2MAPTALOX5APFEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1934238-B1 | TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | MELINTA THERAPEUTICS INC (US) | 2017-06-28 | — | — | EP | disclosed |