Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | THRA | P10827 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL479970 | 0.94 | CYP4F2 (0.37) | MRGPRX4KDM4ENPSR1THRATHRB | |
| SCHEMBL479741 | 0.91 | MET (0.36) | MRGPRX4METMEN1KMT2AP2RX3 | |
| SCHEMBL480031 | 0.86 | KMT2A (0.32) | MRGPRX4METTHRATHRBMEN1 | |
| SCHEMBL479721 | 0.86 | P2RX3 (0.34) | METP2RX3 | |
| SCHEMBL479915 | 0.85 | PRKAB2 (0.33) | METTHRATHRBMEN1KMT2A | |
| SCHEMBL480204 | 0.85 | BDKRB1 (0.34) | MRGPRX4KDM4ENPSR1MEN1KMT2A | |
| SCHEMBL479739 | 0.84 | KDR (0.33) | MEN1KMT2ATP53MAPTPKM | |
| SCHEMBL480000 | 0.84 | S1PR2 (0.33) | METTHRATHRBMEN1KMT2A | |
| SCHEMBL754922 | 0.83 | BAZ2B (0.41) | MRGPRX4METCYP1A2MAPTP2RX3 | |
| SCHEMBL480108 | 0.83 | BAZ2B (0.41) | MRGPRX4METCYP1A2MAPTP2RX3 |
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 |