Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| SCHEMBL906377 | 0.87 | NQO2 (0.41) | CACNA1HCACNA1BCACNA1CNQO2BCHE | |
| SCHEMBL3844306 | 0.72 | IDO1 (0.48) | NQO2IDO1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL28801452 | 0.69 | NQO2 (0.47) | CACNA1HCACNA1BCACNA1CNQO2IDO1 | |
| SCHEMBL7841704 | 0.67 | MTNR1A (0.51) | NQO2BCHEKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL13400107 | 0.67 | CA1 (0.46) | NQO2IDO1KDM4EALDH1A1NPSR1 | |
| SCHEMBL30981863 | 0.67 | NQO2 (0.41) | NQO2BCHEIDO1KDM4EHSD17B10 | |
| SCHEMBL27411086 | 0.67 | NQO2 (0.41) | NQO2BCHEIDO1KDM4EHSD17B10 | |
| SCHEMBL8090338 | 0.66 | GRIN1 (0.53) | — | |
| SCHEMBL3635747 | 0.66 | NQO2 (0.49) | NQO2IDO1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL2552330 | 0.66 | AAK1 (0.50) | NQO2IDO1KDM4EALDH1A1SMN1; SMN2 |
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-2276748-A1 | BICYCLIC NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL COA DESATURASE INHIBITORS | Gilead Sciences, Inc. (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009126123-A1 | BICYCLIC NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL COA DESATURASE INHIBITORS | CV THERAPEUTICS INC. (US) | 2009-10-15 | — | — | WO | disclosed |