Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 3/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 SCHEMBL9631831 | 0.99 | HTR1B (0.46) | HTR1BAOC3HTR2AHRH1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9734251 | 0.87 | HTR1B (0.42) | HTR1BAOC3HTR2AHRH1SLC6A4 | |
| SCHEMBL10568341 | 0.86 | SIGMAR1 (0.47) | HTR1BHRH1SIGMAR1SLC6A4 | |
| Hydrochloric Acid SCHEMBL9631871 | 0.85 | SIGMAR1 (0.46) | HTR1BHRH1SIGMAR1SLC6A4 | |
| SCHEMBL8957571 | 0.84 | KMT2A (0.45) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27654863 | 0.84 | KMT2A (0.45) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7381122 | 0.81 | ALDH1A1 (0.42) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28830561 | 0.81 | ALDH1A1 (0.44) | AOC3SLC6A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL7384532 | 0.77 | ALDH1A1 (0.44) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9692988 | 0.77 | CYP2C19 (0.47) | AOC3SLC6A4ALDH1A1CYP1A2CYP2C9 |
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-4820717-A | Antimicrobial aromatic derivatives substituted by an (omega amino) alkanol group and compositions containing them | SANOFI (FR) | 1989-04-11 | — | — | US | claimed |