Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | VCP | P55072 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL5869054 | 0.87 | KCNQ4 (0.40) | GSK3BVNN1CYP3A4CYP2C9CHRM2 | |
| SCHEMBL7704377 | 0.84 | ALDH1A1 (0.45) | GSK3BVNN1GRM5RAB9AKDM4E | |
| SCHEMBL5868790 | 0.80 | KCNQ4 (0.40) | GSK3BVNN1CYP3A4CYP2C9CHRM2 | |
| SCHEMBL7065166 | 0.79 | VCP (0.45) | GSK3BHDAC3GRM5RAB9AVCP | |
| SCHEMBL7467152 | 0.79 | ERCC5 (0.50) | GSK3BVNN1ACLYRAB9AKDM4E | |
| SCHEMBL7459196 | 0.79 | MAPK14 (0.48) | GSK3BVNN1GRM5RAB9AKDM4E | |
| SCHEMBL7528469 | 0.79 | KEAP1 (0.41) | CYP3A4CYP2C9GRM5RAB9AKDM4E | |
| SCHEMBL7459390 | 0.78 | GSK3B (0.46) | GSK3BVNN1HDAC3GRM5RAB9A | |
| SCHEMBL5868909 | 0.78 | KCNQ4 (0.38) | GSK3BHDAC3GRM5CHRM3RAB9A | |
| SCHEMBL7463263 | 0.76 | GPR139 (0.45) | GSK3BVNN1HDAC3GRM5RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1224175-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029012-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |