Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | FYN | P06241 | 2/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4036416 | 0.92 | FYN (0.53) | HTR7FYNAOC3LMNADRD2 | |
| SCHEMBL4041993 | 0.84 | CYP2D6 (0.46) | AOC3DRD2DRD3SMN1; SMN2ALDH1A1 | |
| SCHEMBL8188932 | 0.83 | HTR7 (0.49) | HTR7FYNAOC3LMNADRD2 | |
| SCHEMBL1220219 | 0.80 | HTR7 (0.53) | HTR7DRD2DRD3NOS3NOS1 | |
| SCHEMBL5275674 | 0.80 | GAA (0.60) | HTR7ACHENOS3NOS1MAPK1 | |
| SCHEMBL29875923 | 0.80 | GAA (0.60) | HTR7ACHENOS3NOS1MAPK1 | |
| SCHEMBL191996 | 0.78 | ACHE (0.59) | ACHEMAPK1CYP19A1KDM4EGAA | |
| SCHEMBL21048199 | 0.76 | ROCK2 (0.43) | HTR7DRD2NOS3NOS1ALDH1A1 | |
| SCHEMBL19732163 | 0.76 | HTR7 (0.51) | HTR7FYNNOS3NOS1ALDH1A1 | |
| SCHEMBL7955166 | 0.75 | FYN (0.47) | HTR7FYNAOC3LMNADRD2 |
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-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |