Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | SPR | P35270 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL479714 | 0.92 | MRGPRX4 (0.36) | THRATHRBPTGER4CHEK2FFAR1 | |
| SCHEMBL479983 | 0.92 | KDR (0.36) | NR1H2NR1H3ALDH1A1KDR | |
| SCHEMBL479931 | 0.92 | S1PR2 (0.33) | THRATHRB | |
| SCHEMBL479715 | 0.90 | IGFBP3 (0.35) | THRATHRBPTGER4CHEK2FFAR1 | |
| SCHEMBL480052 | 0.89 | RHEB (0.35) | THRATHRBCHEK2FLT1KDR | |
| SCHEMBL479852 | 0.89 | SMN1; SMN2 (0.40) | THRATHRBNR1H2NR1H3RXRA | |
| SCHEMBL479958 | 0.89 | MCL1 (0.41) | MCL1THRATHRBFFAR1 | |
| SCHEMBL480020 | 0.89 | PRKAB2 (0.33) | — | |
| SCHEMBL480100 | 0.88 | PTGER4 (0.35) | MCL1PTGER4RXRAALDH1A1TSHR | |
| SCHEMBL479901 | 0.88 | GAA (0.36) | THRATHRBPTGER4KMONR1H2 |
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 |