Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | EP300 | Q09472 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL18280078 | 0.98 | GBA1 (0.56) | GBA1SLC6A4SLC6A2SLC6A3HRH1 | |
| SCHEMBL10559094 | 0.87 | SLC6A4 (0.49) | GBA1SLC6A4SLC6A2SLC6A3HRH1 | |
| SCHEMBL6927113 | 0.85 | HRH1 (0.54) | GBA1SLC6A4SLC6A2SLC6A3HRH1 | |
| SCHEMBL11610662 | 0.84 | TDP1 (0.51) | GBA1SLC6A4SLC6A2SLC6A3CHRM2 | |
| SCHEMBL11606211 | 0.84 | HTR2C (0.45) | GBA1SLC6A4SLC6A2SLC6A3CHRM2 | |
| SCHEMBL5781126 | 0.83 | SLC6A4 (0.52) | GBA1SLC6A4SLC6A2SLC6A3HRH1 | |
| SCHEMBL10599324 | 0.82 | ALDH1A1 (0.50) | SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4 | |
| SCHEMBL11606103 | 0.80 | GBA1 (0.50) | GBA1SLC6A4SLC6A2SLC6A3CHRM2 | |
| SCHEMBL22517420 | 0.80 | SLC6A2 (0.58) | SLC6A4SLC6A2SLC6A3HRH1CHRNB2 | |
| Bromide SCHEMBL4039561 | 0.79 | GBA1 (0.49) | GBA1SLC6A4SLC6A2SLC6A3CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104725356-A | Nitrogen heterocyclic derivatives and application thereof in medicine | GUANGDONG HEC PHARMACEUTICAL | 2015-06-24 | — | — | CN | disclosed |