Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL9197865 | 0.69 | MAP2K1 (0.51) | — | |
| SCHEMBL9194835 | 0.69 | HTR4 (0.35) | — | |
| SCHEMBL7325733 | 0.67 | OPRD1 (0.32) | ALDH1A1 | |
| SCHEMBL3166028 | 0.61 | HTR4 (0.51) | ALDH1A1CYP3A4SLC6A4 | |
| Hydrochloric Acid SCHEMBL9340476 | 0.60 | APEX1 (0.45) | CYP3A4SLC6A4 | |
| SCHEMBL14071953 | 0.60 | ALDH1A1 (0.55) | ALDH1A1CA2CYP3A4 | |
| SCHEMBL7333320 | 0.59 | SLC6A4 (0.34) | ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL1061371 | 0.59 | SLC6A2 (0.58) | SLC6A2SLC6A4 | |
| SCHEMBL1061374 | 0.59 | SLC6A2 (0.58) | SLC6A2SLC6A4 | |
| SCHEMBL8079003 | 0.58 | SLC6A2 (0.44) | SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0664805-A1 | HETEROCYCLIC -ESTERS OR -AMIDES USED AS 5-HT 4? RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-08-02 | — | — | EP | claimed |