Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KDM6B | O15054 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.33 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.33 |
| ▸ | ANO1 | Q5XXA6 | 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 | |
|---|---|---|---|---|
| SCHEMBL1414694 | 0.82 | ALDH1A1 (0.38) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL3658227 | 0.81 | MDM4 (0.38) | PDK2MRGPRX4 | |
| SCHEMBL3658899 | 0.80 | NR1H4 (0.37) | PDK2MRGPRX4SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL3803786 | 0.78 | MRGPRX4 (0.37) | ALDH1A1MRGPRX4SMN1; SMN2KDM4EKDM6B | |
| SCHEMBL837022 | 0.73 | PDK1 (0.43) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL3652084 | 0.71 | P2RX7 (0.33) | ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1 | |
| SCHEMBL29878775 | 0.70 | ALDH1A1 (0.43) | ALDH1A1CFTRMAPK1CYP1A2CYP2C19 | |
| SCHEMBL3656229 | 0.69 | ALDH1A1 (0.38) | ALDH1A1MRGPRX4ARANO1NOTUM | |
| SCHEMBL3659897 | 0.68 | NR3C2 (0.37) | ALDH1A1MRGPRX4SMN1; SMN2CYP1A2TSHR | |
| SCHEMBL3660073 | 0.67 | MAPT (0.32) | ALDH1A1HPGD |
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-2205562-A1 | 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009040288-A1 | 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-02 | — | — | WO | disclosed |