Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 7/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.30 |
| ▸ | FABP2 | P12104 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL474386 | 0.91 | PDK2 (0.36) | RORCPPARGPDK2MEN1KMT2A | |
| SCHEMBL474413 | 0.80 | RORC (0.42) | RORCPPARGPDK2 | |
| SCHEMBL12163884 | 0.80 | RORC (0.42) | RORCPPARGPDK2 | |
| SCHEMBL474577 | 0.73 | PDK2 (0.36) | RORCPPARGPDK2MEN1KMT2A | |
| SCHEMBL12163881 | 0.73 | PDK2 (0.36) | RORCPPARGPDK2MEN1KMT2A | |
| SCHEMBL15520819 | 0.72 | RORC (0.32) | RORCPPARG | |
| SCHEMBL15520363 | 0.69 | NR3C2 (0.33) | RORC | |
| SCHEMBL474382 | 0.69 | BDKRB1 (0.41) | — | |
| SCHEMBL473838 | 0.68 | OPRM1 (0.32) | — | |
| SCHEMBL474522 | 0.67 | ALDH1A1 (0.40) | MEN1KMT2ATSHRLMNAMAPT |
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-2411365-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108903-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |