Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30322909 | 1.00 | TP53 (0.33) | TP53CYP1A2GAACYP2C9PKM | |
| SCHEMBL30280302 | 1.00 | TP53 (0.33) | TP53CYP1A2GAACYP2C9PKM | |
| SCHEMBL30280181 | 1.00 | TP53 (0.33) | TP53CYP1A2GAACYP2C9PKM | |
| SCHEMBL30280242 | 0.96 | TP53 (0.31) | TP53 | |
| SCHEMBL30322778 | 0.79 | — | — | |
| SCHEMBL16243692 | 0.76 | SLC7A5 (0.33) | TP53CYP1A2GAACYP2C9PKM | |
| SCHEMBL375633 | 0.76 | TP53 (0.47) | TP53CYP1A2GAACYP2C9PKM | |
| SCHEMBL26110798 | 0.73 | TP53 (0.44) | TP53CYP1A2GAACYP2C9PKM | |
| Hydrochloric Acid SCHEMBL25174962 | 0.73 | SLC7A5 (0.41) | — | |
| Hydrochloric Acid SCHEMBL31512238 | 0.73 | SLC7A5 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054363-A1 | ASYMMETRIC HYDROGENATION OF 1,1,1-TRIFLUOROACETONE | F. Hoffmann-Roche AG (CH) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008012240-A1 | ASYMMETRIC HYDROGENATION OF 1,1,1-TRIFLUOROACETONE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-31 | — | — | WO | disclosed |