Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 6/20 | 0.41 |
| ▸ | JAK3 | P52333 | 6/20 | 0.41 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10930498 | 0.80 | NR4A2 (0.51) | ALDH1A1CLEC4MNR4A2 | |
| SCHEMBL10602219 | 0.80 | ALDH1A1 (0.59) | ALDH1A1GLADHFR | |
| SCHEMBL9023334 | 0.78 | GABRA1 (0.54) | JAK2JAK3 | |
| SCHEMBL11383895 | 0.77 | ALDH1A1 (0.41) | ALDH1A1GLADHFR | |
| SCHEMBL9588071 | 0.76 | ALDH1A1 (0.45) | ALDH1A1GLADHFR | |
| SCHEMBL6873768 | 0.75 | NPC1 (0.63) | ALDH1A1 | |
| SCHEMBL11064847 | 0.75 | ALDH1A1 (0.46) | ALDH1A1GLA | |
| SCHEMBL11633784 | 0.74 | ALDH1A1 (0.48) | ALDH1A1GLANR4A2 | |
| SCHEMBL9023551 | 0.74 | CA12 (0.54) | ALDH1A1JAK2JAK3CLEC4MNR4A2 | |
| SCHEMBL11067767 | 0.74 | CYP2A6 (0.47) | ALDH1A1GLA |
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-4468520-A | BETA-BLOCKERS | BOEHRINGER MANNHEIM GMBH (DE) | 1984-08-28 | — | — | US | disclosed |
| EP-0045911-A1 | Propanol amine, derivatives, process for their preparation and medicines containing these compounds | Roche Diagnostics GmbH (DE) | 1982-02-17 | — | — | EP | disclosed |