Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CFD | P00746 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 3/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16680290 | 0.86 | CYP1A2 (0.56) | TP53CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL16680291 | 0.86 | CYP1A2 (0.56) | TP53CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL16679788 | 0.84 | CYP1A2 (0.54) | TP53CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL16679790 | 0.84 | CYP1A2 (0.54) | TP53CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL6266551 | 0.84 | CYP1A2 (0.70) | CYP1A2CYP2C9HPGDMAPK1CYP2C19 | |
| SCHEMBL16680230 | 0.81 | CYP1A2 (0.50) | TP53CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL16680229 | 0.81 | CYP1A2 (0.50) | TP53CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL28981205 | 0.79 | TP53 (0.52) | TP53CYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL3471054 | 0.77 | RPS6KB1 (0.51) | TP53CYP1A2CYP2C19LMNATHRB | |
| SCHEMBL11122003 | 0.75 | ALDH1A1 (0.57) | TP53MAPK1CYP2C19LMNATHRB |
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-2000027827-A1 | OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-05-18 | — | — | WO | disclosed |