Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 9/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.36 |
| ▸ | CHRNG | P07510 | 4/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.36 |
| ▸ | CHRND | Q07001 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL296803 | 0.85 | SLC6A2 (0.43) | SLC6A2SLC6A3KCNH2SLC6A4CYP2D6 | |
| SCHEMBL576857 | 0.76 | CYP19A1 (0.45) | THRBMAPTSIRT2 | |
| SCHEMBL10393997 | 0.76 | TP53 (0.42) | SLC6A2SLC6A3SLC6A4TP53 | |
| SCHEMBL28722334 | 0.76 | BRD4 (0.41) | THRBPDE3BPDE3AMAPT | |
| SCHEMBL29531283 | 0.74 | CYP19A1 (0.51) | THRBTP53MAPTSIRT2 | |
| SCHEMBL28722325 | 0.74 | CYP19A1 (0.51) | THRBTP53MAPTSIRT2 | |
| SCHEMBL28588965 | 0.72 | POLB (0.51) | TP53MAPT | |
| Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL28579210 | 0.72 | CYP19A1 (0.40) | SLC6A3 | |
| SCHEMBL7905996 | 0.72 | ACHE (0.48) | — | |
| SCHEMBL8729044 | 0.72 | ACHE (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114213367-B | Method for synthesizing gamma-butyrolactone by using 3, 4-epoxy-1-butanol | 西北工业大学 | 2023-05-12 | — | — | CN | disclosed |
| EP-2200982-B1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2012-03-14 | — | — | EP | disclosed |