Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.55 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.52 |
| ▸ | DRD2 | P14416 | 2/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6578715 | 0.89 | ADORA2A (0.62) | NR1H2NR1H3ADORA2AADORA1DRD2 | |
| SCHEMBL6583869 | 0.89 | ADORA2A (0.65) | NR1H2NR1H3ADORA2AADORA1DRD2 | |
| SCHEMBL6578236 | 0.89 | NR1H2 (0.61) | NR1H2NR1H3ADORA2AADORA1DRD2 | |
| Hydrochloric Acid SCHEMBL6578937 | 0.88 | ADORA2A (0.64) | NR1H2NR1H3ADORA2AADORA1DRD2 | |
| Hydrochloric Acid SCHEMBL6581231 | 0.87 | ADORA2A (0.63) | NR1H2NR1H3ADORA2AADORA1DRD2 | |
| SCHEMBL6582971 | 0.85 | ADORA2A (0.52) | NR1H2NR1H3ADORA2AADORA1DRD2 | |
| SCHEMBL6582550 | 0.85 | NR1H2 (0.53) | NR1H2NR1H3ADORA2AADORA1DRD2 | |
| SCHEMBL6580995 | 0.84 | ALDH1A1 (0.52) | NR1H2NR1H3ADORA2AADORA1DRD2 | |
| SCHEMBL6578509 | 0.84 | ADORA2A (0.49) | NR1H2NR1H3ADORA2AADORA1DRD2 | |
| SCHEMBL6579011 | 0.83 | ADORA2A (0.48) | NR1H2NR1H3ADORA2AADORA1DRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | disclosed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |