Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15628463 | 1.00 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C19NOS3NOS1 | |
| SCHEMBL20026348 | 0.95 | ERN1 (0.33) | CYP1A2CYP2D6CYP2C19NOS3NOS1 | |
| SCHEMBL15628455 | 0.85 | LOXL2 (0.36) | CYP1A2CYP2D6CYP2C19NOS3NOS1 | |
| SCHEMBL19063250 | 0.85 | TSHR (0.39) | CYP1A2CYP2D6CYP2C19CA2IDO1 | |
| SCHEMBL20026377 | 0.83 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C19IDO1 | |
| SCHEMBL20026328 | 0.83 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP2C19PTGS1PTGS2 | |
| SCHEMBL20026227 | 0.81 | TDP1 (0.34) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL19062433 | 0.81 | ALDH1A1 (0.34) | CYP1A2CYP2D6CYP2C19CA7 | |
| SCHEMBL20026332 | 0.81 | HRH3 (0.44) | CYP1A2CYP2D6CYP2C19LTA4H | |
| SCHEMBL19062920 | 0.81 | CYP1A2 (0.33) | CYP1A2CYP2D6CYP2C19 |
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 |