Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NR1D2 | Q14995 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL16191197 | 0.94 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2SLC6A3TAAR1IDO1 | |
| Hydrochloric Acid SCHEMBL4879053 | 0.89 | IDO1 (0.47) | ALDH1A1SMN1; SMN2SLC6A3TAAR1IDO1 | |
| SCHEMBL3966431 | 0.84 | GRIN1 (0.44) | ALDH1A1SMN1; SMN2SLC6A3TAAR1IDO1 | |
| SCHEMBL3966432 | 0.84 | GBA1 (0.62) | SLC6A3SLC6A4GRIN1GRIN2B | |
| SCHEMBL16191569 | 0.84 | TAAR1 (0.42) | ALDH1A1SMN1; SMN2TAAR1IDO1AGXT | |
| Hydrochloric Acid SCHEMBL4777854 | 0.82 | GBA1 (0.61) | SLC6A3IDO1AGXTSLC6A4GRIN1 | |
| Hydrochloric Acid SCHEMBL30522822 | 0.82 | GBA1 (0.61) | SLC6A3IDO1AGXTSLC6A4GRIN1 | |
| SCHEMBL3160166 | 0.82 | EED (0.64) | SLC6A3HRH3HTT | |
| SCHEMBL24398096 | 0.81 | NR1D2 (0.56) | SLC6A3DRD2SLC6A4GRIN1GRIN2B | |
| SCHEMBL15759288 | 0.81 | SLC6A3 (0.48) | ALDH1A1SMN1; SMN2SLC6A3DRD2SLC6A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | disclosed |