Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.31 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL479964 | 0.94 | KDR (0.32) | KDRPDK2KMT2AATMBTK | |
| SCHEMBL479721 | 0.93 | P2RX3 (0.34) | KDRSCN8ASCN10A | |
| SCHEMBL480000 | 0.91 | S1PR2 (0.33) | HTR2ASLC6A4KCNH2KMT2ABTK | |
| SCHEMBL480031 | 0.86 | KMT2A (0.32) | KMT2AMAPTMEN1PKM | |
| SCHEMBL479915 | 0.86 | PRKAB2 (0.33) | KMT2AMEN1PKMPPARGPPARD | |
| SCHEMBL479970 | 0.86 | CYP4F2 (0.37) | KMT2AMEN1PKM | |
| SCHEMBL479983 | 0.85 | KDR (0.36) | KDRPDK2KMT2AMAPTMEN1 | |
| SCHEMBL479931 | 0.85 | S1PR2 (0.33) | KMT2ABTKMEN1PPARGPPARD | |
| SCHEMBL480079 | 0.85 | PDK2 (0.40) | PDK2MAPT | |
| SCHEMBL479741 | 0.84 | MET (0.36) | KMT2AMEN1 |
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 | claimed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | claimed |
| 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 |