Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2432679 | 0.83 | ALDH1A1 (0.50) | CYP2C19CYP1A2ALDH1A1NPSR1CYP3A4 | |
| SCHEMBL31741261 | 0.83 | ALDH1A1 (0.50) | CYP2C19CYP1A2ALDH1A1NPSR1CYP3A4 | |
| SCHEMBL1065476 | 0.81 | CYP2C19 (0.44) | CYP2C19CYP1A2ALDH1A1NPSR1CYP3A4 | |
| SCHEMBL22610224 | 0.81 | CYP2C19 (0.47) | CYP2C19CYP1A2ALDH1A1CYP3A4MEN1 | |
| SCHEMBL27751215 | 0.80 | CYP2C19 (0.49) | CYP2C19CYP1A2ALDH1A1NPSR1CYP3A4 | |
| SCHEMBL31295913 | 0.80 | CYP2C19 (0.49) | CYP2C19CYP1A2ALDH1A1NPSR1CYP3A4 | |
| SCHEMBL4938951 | 0.80 | CYP2C19 (0.46) | CYP2C19CYP1A2ALDH1A1CYP3A4MEN1 | |
| SCHEMBL1064976 | 0.80 | CYP2C19 (0.43) | CYP2C19CYP1A2ALDH1A1NPSR1CYP3A4 | |
| SCHEMBL30366192 | 0.79 | TSHR (0.58) | CYP2C19CYP1A2ALDH1A1NPSR1CYP3A4 | |
| SCHEMBL18248588 | 0.79 | CYP2C19 (0.45) | CYP2C19CYP1A2ALDH1A1CYP3A4MEN1 |
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-3932641-A | THIOACETAMIDES | SMITHKLINE CORPORATION (US) | 1976-01-13 | — | — | US | disclosed |