Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.34 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.34 |
| ▸ | TRPM5 | Q9NZQ8 | 2/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9737738 | 0.85 | CYP3A4 (0.53) | CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2259508 | 0.85 | CYP3A4 (0.53) | CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10794178 | 0.79 | STS (0.37) | CYP3A4ESR1ESR2 | |
| SCHEMBL10792736 | 0.77 | SLC18A2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9828216 | 0.75 | PMP22 (0.48) | CYP3A4 | |
| Hydrochloric Acid SCHEMBL10797775 | 0.74 | SMPD1 (0.40) | CYP3A4 | |
| SCHEMBL22734745 | 0.72 | CYP3A4 (0.51) | CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22761498 | 0.72 | CYP3A4 (0.51) | CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22761556 | 0.72 | CYP3A4 (0.51) | CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14428889 | 0.72 | CYP3A4 (0.51) | CYP3A4SLC6A2SLC6A4SLC6A3 |
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-4680310-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1987-07-14 | — | — | US | disclosed |