Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 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 | |
|---|---|---|---|---|
| SCHEMBL15520272 | 0.95 | ALDH1A1 (0.41) | ALDH1A1HTTUSP2L3MBTL1TSHR | |
| SCHEMBL15520261 | 0.95 | USP2 (0.40) | ALDH1A1HTTUSP2L3MBTL1TSHR | |
| SCHEMBL15520689 | 0.93 | ALDH1A1 (0.41) | ALDH1A1HTTUSP2L3MBTL1TSHR | |
| SCHEMBL15520803 | 0.91 | GPR55 (0.38) | ALDH1A1HTTUSP2L3MBTL1TSHR | |
| SCHEMBL15520533 | 0.91 | GPR55 (0.38) | ALDH1A1HTTUSP2L3MBTL1TSHR | |
| SCHEMBL15520752 | 0.91 | GPR55 (0.38) | ALDH1A1HTTUSP2L3MBTL1TSHR | |
| SCHEMBL474334 | 0.90 | ALDH1A1 (0.41) | ALDH1A1HTTUSP2L3MBTL1TSHR | |
| SCHEMBL12163929 | 0.90 | ALDH1A1 (0.41) | ALDH1A1HTTUSP2L3MBTL1TSHR | |
| SCHEMBL474540 | 0.89 | ALDH1A1 (0.41) | ALDH1A1HTTUSP2L3MBTL1TSHR | |
| SCHEMBL12163951 | 0.89 | ALDH1A1 (0.41) | ALDH1A1HTTUSP2L3MBTL1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411365-B1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-03-19 | — | — | EP | claimed |