Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 2/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL480065 | 0.89 | NFE2L2 (0.39) | DYRK1ANFE2L2KDM4EMAPK1NPSR1 | |
| SCHEMBL3658603 | 0.82 | ESR1 (0.42) | KMT2A | |
| SCHEMBL480054 | 0.78 | S1PR4 (0.37) | NFE2L2NPSR1S1PR4JAK2TYK2 | |
| SCHEMBL27974420 | 0.77 | DYRK1A (0.38) | DYRK1ANFE2L2KDM4EMAPK1NPSR1 | |
| SCHEMBL5188701 | 0.73 | MAPT (0.44) | KDM4EMAPK1KCNH2RAB9AKMT2A | |
| SCHEMBL480081 | 0.72 | ROCK2 (0.40) | DYRK1AROCK2ROCK1JAK2TYK2 | |
| SCHEMBL28034745 | 0.70 | HTR2A (0.44) | JAK2TYK2HTR2ASLC6A4KCNH2 | |
| SCHEMBL27974417 | 0.70 | CYP3A4 (0.44) | DYRK1AROCK2ROCK1JAK2TYK2 | |
| SCHEMBL3660321 | 0.69 | PSEN1 (0.40) | DYRK1AMAPK1PSEN1PSEN2APH1B | |
| SCHEMBL20550917 | 0.69 | HTR2A (0.40) | JAK2TYK2HTR2ASLC6A4KCNH2 |
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-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 |