Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.86 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.86 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.86 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.86 |
| ▸ | TP53 | P04637 | 1/20 | 0.86 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.75 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.75 |
| ▸ | HTR6 | P50406 | 5/20 | 0.62 |
| ▸ | HTR2A | P28223 | 1/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
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 SCHEMBL8600555 | 0.99 | MEN1 (0.85) | MEN1ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2946020 | 0.93 | MEN1 (1.00) | MEN1ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL2946335 | 0.92 | MEN1 (0.98) | MEN1ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL8647256 | 0.90 | MEN1 (0.79) | MEN1ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL548884 | 0.86 | HTR4 (1.00) | MEN1ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL1078401 | 0.85 | HTR4 (0.98) | MEN1ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7354214 | 0.85 | MEN1 (0.85) | MEN1ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL678966 | 0.84 | HTR4 (0.96) | MEN1ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL7361611 | 0.84 | MEN1 (0.84) | MEN1ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL7354355 | 0.84 | MEN1 (0.84) | MEN1ALDH1A1CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994027965-A1 | NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS | SYNTEX (U.S.A.) INC. (US) | 1994-12-08 | — | — | WO | disclosed |