Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KCNA5 | P22460 | 8/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27787771 | 0.77 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3KCNA5SMN1; SMN2 | |
| SCHEMBL28803513 | 0.77 | SMN1; SMN2 (0.47) | SLC6A2SLC6A4SLC6A3KCNA5SMN1; SMN2 | |
| SCHEMBL10580670 | 0.74 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3KCNA5SMN1; SMN2 | |
| SCHEMBL11464003 | 0.74 | CYP2C9 (0.62) | SMN1; SMN2LMNAL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL27626895 | 0.73 | SMN1; SMN2 (0.47) | SLC6A2SLC6A4SLC6A3KCNA5SMN1; SMN2 | |
| SCHEMBL22394880 | 0.73 | PPARG (0.51) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2C19 | |
| Ethylene SCHEMBL9547378 | 0.73 | HDAC8 (0.48) | SLC6A4SLC6A3KCNA5LMNAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL27645555 | 0.72 | SMN1; SMN2 (0.46) | SLC6A2SLC6A4SLC6A3SMN1; SMN2LMNA | |
| Bromide SCHEMBL27692435 | 0.72 | SMN1; SMN2 (0.46) | SLC6A2SLC6A4SLC6A3KCNA5SMN1; SMN2 | |
| SCHEMBL28107949 | 0.71 | EPHX1 (0.62) | SLC6A2SLC6A4SLC6A3SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101808992-B | 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives | HOFFMANN LA ROCHE | 2012-09-26 | — | — | CN | disclosed |
| CN-101808992-A | 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives | HOFFMANN LA ROCHE | 2010-08-18 | — | — | CN | disclosed |