Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.31 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.31 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.31 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.31 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.31 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.31 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL480031 | 0.94 | KMT2A (0.32) | THRATHRBPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL479931 | 0.94 | S1PR2 (0.33) | S1PR2THRATHRBBTKPRKAB2 | |
| SCHEMBL479915 | 0.93 | PRKAB2 (0.33) | S1PR2THRATHRBPRKAB2PRKAG1 | |
| SCHEMBL479741 | 0.91 | MET (0.36) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL479739 | 0.91 | KDR (0.33) | BTKMEN1KMT2APKMPPARG | |
| SCHEMBL480020 | 0.88 | PRKAB2 (0.33) | S1PR2PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL480052 | 0.88 | RHEB (0.35) | THRATHRBPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL479721 | 0.86 | P2RX3 (0.34) | MET | |
| SCHEMBL479970 | 0.86 | CYP4F2 (0.37) | THRATHRBMEN1KMT2APKM | |
| SCHEMBL480101 | 0.85 | MCL1 (0.35) | THRATHRBKMOFFAR1 |
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 |