Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.55 |
| ▸ | NEK1 | Q96PY6 | 5/20 | 0.51 |
| ▸ | AXL | P30530 | 1/20 | 0.51 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 2/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SDHB | P21912 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27949967 | 0.86 | CDK8 (0.55) | CDK8NEK1AXLASH1LGABRG2 | |
| SCHEMBL17279808 | 0.86 | CDK8 (0.55) | CDK8NEK1AXLASH1LGABRG2 | |
| SCHEMBL28680245 | 0.84 | CDK8 (0.54) | CDK8NEK1AXLASH1LGABRG2 | |
| SCHEMBL25792047 | 0.84 | KDM4E (0.59) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL29215207 | 0.80 | CDK8 (0.50) | CDK8NEK1AXLGABRG2GABRB3 | |
| SCHEMBL5557467 | 0.79 | CDK8 (0.57) | CDK8NEK1GABRG2GABRB3GABRA5 | |
| SCHEMBL13680584 | 0.78 | GABRG2 (0.53) | CDK8GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL67941 | 0.78 | CA12 (0.68) | CDK8GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7466309 | 0.77 | ERCC5 (0.36) | CDK8MAPK1 | |
| SCHEMBL5184668 | 0.77 | CDK8 (0.47) | CDK8NEK1AXLASH1LGABRG2 |
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 |