Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | UGCG | Q16739 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11211405 | 0.74 | CRBN (0.38) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL7362490 | 0.72 | AR (0.47) | ALDH1A1MAPTNPC1RAB9APARP1 | |
| SCHEMBL7359416 | 0.70 | HTR1A (0.35) | ALDH1A1CYP3A4MAPTRAB9AKDM4E | |
| SCHEMBL7935803 | 0.68 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL9982225 | 0.65 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL11701191 | 0.65 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL12260114 | 0.64 | ALDH1A1 (0.51) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL9982228 | 0.63 | ALDH1A1 (0.45) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL8866148 | 0.63 | SIGMAR1 (0.44) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL20478854 | 0.63 | ALDH1A1 (0.53) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4565818-A | Pharmaceutically active 1,2,3,4,4a,5,10,10a-octahydro-benzo[g]quinoline derivatives | SANDOZ LTD. (CH) | 1986-01-21 | — | — | US | disclosed |
| EP-0077754-A2 | Novel pharmaceutically active 1,2,3,4,4a,5,10,10a-octahydrobenzo(g)quinoline derivatives | SANDOZ AG (CH) | 1983-04-27 | — | — | EP | disclosed |