Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL1545248 | 0.82 | HK1 (0.46) | CYP1A2CYP2C19KDM4EPOLBALDH1A1 | |
| SCHEMBL1545303 | 0.82 | TDP1 (0.67) | TDP1CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1544475 | 0.77 | HSD17B10 (0.71) | TDP1KDM4EPOLBALDH1A1HSD17B10 | |
| SCHEMBL1544160 | 0.77 | SMN1; SMN2 (0.44) | TDP1CYP1A2CYP2C19KDM4EPOLB | |
| SCHEMBL5050462 | 0.72 | ALDH1A1 (0.54) | TDP1KDM4EPOLBALDH1A1KMT2A | |
| SCHEMBL919250 | 0.69 | HSD17B10 (0.73) | TDP1KDM4EPOLBALDH1A1KMT2A | |
| SCHEMBL12911795 | 0.69 | HSD11B1 (0.50) | KMT2A | |
| SCHEMBL2922694 | 0.67 | APLNR (0.33) | SMN1; SMN2 | |
| SCHEMBL13983888 | 0.67 | BCHE (0.68) | TDP1CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL2328248 | 0.67 | HSD17B10 (0.60) | TDP1CYP1A2CYP2C19KDM4EPOLB |
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-1720860-A1 | TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005080379-A1 | TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (US) | 2005-09-01 | — | — | WO | disclosed |