Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | KCNJ1 | P48048 | 7/20 | 0.34 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CTSC | P53634 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL473924 | 0.93 | CYP11B2 (0.41) | CYP11B2NPC1MAPTALDH1A1KMT2A | |
| SCHEMBL474137 | 0.90 | MIF (0.36) | CYP11B2KCNJ1IDO1MAPTCTSC | |
| SCHEMBL474062 | 0.89 | CYP11B2 (0.35) | CYP11B2KCNJ1ASAH1SIGMAR1CTSC | |
| SCHEMBL473926 | 0.87 | KMO (0.39) | CYP11B2ASAH1IDO1MAPTTP53 | |
| SCHEMBL473936 | 0.84 | CYP11B2 (0.45) | CYP11B2KCNJ1CTSC | |
| SCHEMBL473947 | 0.84 | MIF (0.36) | CYP11B2KCNJ1IDO1MAPTCTSC | |
| SCHEMBL474050 | 0.83 | CYP11B2 (0.40) | CYP11B2KCNJ1CTSC | |
| SCHEMBL474017 | 0.82 | KCNJ1 (0.33) | CYP11B2KCNJ1NPC1MAPTALDH1A1 | |
| SCHEMBL474034 | 0.81 | KMO (0.39) | CYP11B2IDO1MAPTTP53KMT2A | |
| SCHEMBL473822 | 0.73 | HSD11B1 (0.37) | CYP11B2 |
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 |