Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9588209 | 0.73 | CA1 (0.36) | CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL5616028 | 0.71 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL33145 | 0.66 | ALDH1A1 (0.43) | CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL12479150 | 0.64 | ADORA2A (0.37) | ADORA2AADORA1ALDH1A1 | |
| SCHEMBL10920679 | 0.63 | CYP1A2 (0.44) | CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL29180592 | 0.63 | CYP11B1 (0.41) | ADORA2AADORA1 | |
| SCHEMBL6206205 | 0.62 | ACACB (0.33) | ADORA2AADORA1 | |
| SCHEMBL15274462 | 0.61 | APLNR (0.50) | ADORA2AADORA1 | |
| SCHEMBL15265347 | 0.60 | CYP11B1 (0.33) | ADORA2AADORA1 | |
| SCHEMBL5488204 | 0.60 | AOC3 (0.58) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5502028-A | Herbicidal pyrimidinyl or triazinyl haloacetic acid derivatives | SCHERING AGROCHEMICALS LIMITED (GB) | 1996-03-26 | — | — | US | disclosed |