Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | TACR2 | P21452 | 3/20 | 0.44 |
| ▸ | TACR1 | P25103 | 2/20 | 0.44 |
| ▸ | TACR3 | P29371 | 6/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2231946 | 0.84 | POLB (0.57) | POLBALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL13774962 | 0.83 | POLB (0.65) | POLBALDH1A1CYP2C19KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL2479293 | 0.83 | POLB (0.56) | POLBALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL6637654 | 0.78 | OPRM1 (0.50) | POLBALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL4631243 | 0.77 | POLB (0.64) | POLBALDH1A1CYP2C19KDM4EHPGD | |
| SCHEMBL7744605 | 0.76 | POLB (0.53) | POLBALDH1A1CYP2C19KDM4EHPGD | |
| SCHEMBL13774965 | 0.76 | POLB (0.62) | POLBALDH1A1CYP2C19KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL9317938 | 0.76 | POLB (0.62) | POLBALDH1A1CYP2C19KDM4EHPGD | |
| SCHEMBL8016198 | 0.76 | KMT2A (0.46) | POLBALDH1A1CYP2C19KDM4E | |
| SCHEMBL5168128 | 0.75 | POLB (0.43) | POLBALDH1A1CYP2C19KDM4EHPGD |
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-0810991-B1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1999-04-14 | — | — | EP | disclosed |
| EP-0810991-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | Novartis AG (CH) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996026183-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1996-08-29 | — | — | WO | disclosed |