Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094297 | 0.80 | BCHE (0.42) | MAPTKMT2ADRD4SMN1; SMN2MEN1 | |
| SCHEMBL7094153 | 0.69 | L3MBTL1 (0.43) | CYP2C9CYP2C19MAPTKMT2ASIGMAR1 | |
| SCHEMBL4694508 | 0.65 | CYP2C9 (0.67) | CYP2C9CYP2C19MAPTKMT2ASIGMAR1 | |
| SCHEMBL4322092 | 0.62 | CYP2C9 (0.58) | CYP2C9CYP2C19MAPTKMT2ASIGMAR1 | |
| SCHEMBL5239008 | 0.61 | CLPP (0.42) | MAPTKMT2ADRD4GAAMEN1 | |
| SCHEMBL26357044 | 0.60 | MAPT (1.00) | CYP2C9CYP2C19MAPTKMT2ASIGMAR1 | |
| SCHEMBL7252823 | 0.60 | GSK3A (0.57) | CYP2C9CYP2C19KMT2ADDB1CRBN | |
| SCHEMBL1237529 | 0.59 | MTNR1A (0.50) | KMT2A | |
| SCHEMBL3300276 | 0.59 | PNMT (0.65) | SIGMAR1 | |
| SCHEMBL4319995 | 0.59 | CYP2C9 (0.50) | CYP2C9CYP2C19MAPTKMT2ASIGMAR1 |
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-1296961-B1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2007-02-14 | — | — | EP | disclosed |