Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAN2A1 | Q16706 | 2/20 | 0.33 |
| ▸ | MAN1B1 | Q9UKM7 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4845316 | 0.92 | AKT1 (0.39) | AKT1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL9729407 | 0.84 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL9728886 | 0.82 | CHRNA7 (0.35) | SLC6A2SLC6A4SLC6A3CYP2D6CNR2 | |
| SCHEMBL9729227 | 0.81 | AOC3 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19 | |
| SCHEMBL9729325 | 0.78 | AOC3 (0.45) | CNR2KDM4EALDH1A1AOC3GAA | |
| SCHEMBL31579895 | 0.74 | HTR1A (0.47) | AKT1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL5273602 | 0.73 | CYP1A2 (0.62) | AKT1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL9728845 | 0.73 | CNR2 (0.44) | SLC6A2SLC6A4SLC6A3CNR2KDM4E | |
| SCHEMBL9729333 | 0.72 | LMNA (0.41) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL9728901 | 0.71 | ALDH1A1 (0.54) | SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4803200-A | SHIPPING FEVER SYNDROME | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-02-07 | — | — | US | claimed |
| US-5171753-A | Derivatives of 2-amino-1-phenylethanol having antiulcer activity | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-12-15 | — | — | US | disclosed |
| US-4803200-A | SHIPPING FEVER SYNDROME | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-02-07 | — | — | US | disclosed |