Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ACP1 | P24666 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.46 |
| ▸ | LATS1 | O95835 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6534317 | 0.99 | PDE10A (0.57) | PDE10ACYP2C19ACP1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6534187 | 0.91 | SLC2A1 (0.59) | PDE10ACYP2C19ACP1KDM4EALDH1A1 | |
| SCHEMBL6534262 | 0.90 | ACP1 (0.57) | ACP1 | |
| Hydrochloric Acid SCHEMBL6534220 | 0.89 | ACP1 (0.56) | ACP1 | |
| SCHEMBL17372677 | 0.88 | TACR3 (0.58) | PDE10AACP1 | |
| Hydrochloric Acid SCHEMBL6534345 | 0.87 | PDE10A (0.72) | PDE10ACYP2C19ACP1SLC2A1 | |
| Hydrochloric Acid SCHEMBL6534337 | 0.87 | TACR3 (0.57) | PDE10AACP1 | |
| Hydrochloric Acid SCHEMBL6534404 | 0.81 | PDE10A (0.49) | PDE10AACP1KDM4EALDH1A1SLC2A1 | |
| Hydrochloric Acid SCHEMBL6534405 | 0.81 | PDE10A (0.49) | PDE10AACP1KDM4EALDH1A1SLC2A1 | |
| SCHEMBL6534482 | 0.81 | TACR3 (0.62) | ACP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1088818-B1 | Quinolin-4-yl derivatives | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | claimed |
| US-6440995-B1 | NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS | HOFFMAN-LA ROCHE INC. | 2002-08-27 | — | — | US | claimed |
| EP-1088818-A1 | Quinolin-4-yl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-04 | — | — | EP | claimed |
| EP-1088818-B1 | Quinolin-4-yl derivatives | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |
| US-6440995-B1 | NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS | HOFFMAN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| EP-1088818-A1 | Quinolin-4-yl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-04 | — | — | EP | disclosed |