Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 12/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.37 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 2/20 | 0.33 |
| ▸ | TSPO | P30536 | 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 | |
|---|---|---|---|---|
| SCHEMBL474050 | 0.88 | CYP11B2 (0.40) | CYP11B2KCNJ1GPR55CTSC | |
| SCHEMBL474137 | 0.85 | MIF (0.36) | CYP11B2KCNJ1CTSC | |
| SCHEMBL473987 | 0.84 | CYP11B2 (0.35) | CYP11B2KCNJ1CTSC | |
| SCHEMBL473926 | 0.82 | KMO (0.39) | CYP11B2 | |
| SCHEMBL473947 | 0.79 | MIF (0.36) | CYP11B2KCNJ1GPR55CTSC | |
| SCHEMBL474017 | 0.79 | KCNJ1 (0.33) | CYP11B2KCNJ1 | |
| SCHEMBL474034 | 0.77 | KMO (0.39) | CYP11B2 | |
| SCHEMBL473924 | 0.77 | CYP11B2 (0.41) | CYP11B2 | |
| SCHEMBL473819 | 0.76 | CYP11B2 (0.42) | CYP11B2KCNJ1GPR55TNIKTSPO | |
| SCHEMBL12164222 | 0.76 | CYP11B2 (0.42) | CYP11B2KCNJ1GPR55TNIKTSPO |
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 |