Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.32 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL480170 | 0.78 | DYRK1A (0.40) | S1PR4NPSR1JAK2TYK2HTR2A | |
| SCHEMBL27974261 | 0.77 | ALDH1A1 (0.39) | S1PR4ALDH1A1TSHRNPSR1HTR2A | |
| SCHEMBL480065 | 0.73 | NFE2L2 (0.39) | NPSR1JAK2TYK2HTR2ASLC6A4 | |
| SCHEMBL479987 | 0.72 | ALDH1A1 (0.46) | ALDH1A1TSHRNPSR1CYP1A2POLB | |
| SCHEMBL28034745 | 0.70 | HTR2A (0.44) | ALDH1A1JAK2TYK2HTR2ASLC6A4 | |
| SCHEMBL27974260 | 0.70 | ALDH1A1 (0.44) | S1PR4ALDH1A1TSHRNPSR1JAK2 | |
| SCHEMBL20550917 | 0.69 | HTR2A (0.40) | ALDH1A1JAK2TYK2HTR2ASLC6A4 | |
| SCHEMBL479926 | 0.68 | KMT2A (0.36) | ALDH1A1TSHRNPSR1HTR2ASLC6A4 | |
| SCHEMBL5188701 | 0.68 | MAPT (0.44) | ALDH1A1TSHRKCNH2HPGDL3MBTL1 | |
| SCHEMBL479938 | 0.68 | ALDH1A1 (0.44) | ALDH1A1TSHRNPSR1CYP1A2POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411361-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |
| 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 |