Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | KCNA5 | P22460 | 10/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL27688224 | 0.83 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3LMNAALDH1A1 | |
| SCHEMBL27787769 | 0.77 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3KCNA5KCNH2 | |
| SCHEMBL10580670 | 0.74 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3KCNA5KCNH2 | |
| SCHEMBL7045556 | 0.73 | SMN1; SMN2 (0.47) | SLC6A2SLC6A4SLC6A3KCNA5SMN1; SMN2 | |
| SCHEMBL30434450 | 0.73 | SMN1; SMN2 (0.46) | SLC6A2SLC6A4SLC6A3KCNA5KCNH2 | |
| SCHEMBL27626896 | 0.73 | CFTR (0.44) | SLC6A2SLC6A4SLC6A3KCNA5KCNH2 | |
| SCHEMBL3658241 | 0.72 | KCNA5 (0.45) | SLC6A2SLC6A4SLC6A3KCNA5SMN1; SMN2 | |
| SCHEMBL7033221 | 0.69 | ADRB2 (0.41) | SLC6A2SLC6A4SLC6A3KCNA5KCNH2 | |
| SCHEMBL9682763 | 0.69 | NAPRT (0.42) | SLC6A2SLC6A4SLC6A3KCNA5SMN1; SMN2 | |
| SCHEMBL28900068 | 0.69 | CYP2A6 (0.44) | SLC6A2SLC6A4SLC6A3KCNA5SMN1; SMN2 |
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 |