Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.38 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL474631 | 0.93 | ALDH1A1 (0.41) | ALDH1A1THRBHTTUSP2SLC5A1 | |
| SCHEMBL474522 | 0.89 | ALDH1A1 (0.40) | ALDH1A1THRBHTTUSP2SLC5A1 | |
| SCHEMBL12163951 | 0.81 | ALDH1A1 (0.41) | ALDH1A1THRBHTTUSP2SLC5A1 | |
| SCHEMBL474540 | 0.81 | ALDH1A1 (0.41) | ALDH1A1THRBHTTUSP2SLC5A1 | |
| SCHEMBL474632 | 0.80 | USP2 (0.42) | ALDH1A1THRBHTTUSP2SLC5A1 | |
| SCHEMBL12163929 | 0.79 | ALDH1A1 (0.41) | ALDH1A1THRBHTTUSP2SLC5A1 | |
| SCHEMBL474334 | 0.79 | ALDH1A1 (0.41) | ALDH1A1THRBHTTUSP2SLC5A1 | |
| SCHEMBL15520261 | 0.78 | USP2 (0.40) | ALDH1A1THRBHTTUSP2SLC5A1 | |
| SCHEMBL12163919 | 0.78 | ALDH1A1 (0.42) | ALDH1A1THRBHTTUSP2SLC5A1 | |
| SCHEMBL474545 | 0.78 | ALDH1A1 (0.42) | ALDH1A1THRBHTTUSP2SLC5A1 |
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 |