Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CTSG | P08311 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL473961 | 0.94 | ALDH1A1 (0.41) | ASAH1ALDH1A1HPGDCMA1MAPT | |
| SCHEMBL474521 | 0.85 | TP53 (0.39) | NR1H3ALDH1A1CMA1SMN1; SMN2 | |
| SCHEMBL474051 | 0.82 | ALDH1A1 (0.39) | KMOASAH1ALDH1A1HPGDMAPT | |
| SCHEMBL473903 | 0.77 | ALDH1A1 (0.37) | NR1H2NR1H3ALDH1A1CMA1MAPT | |
| SCHEMBL12164103 | 0.76 | GPR55 (0.36) | KMOMAPTTHRBSMN1; SMN2CYP11B2 | |
| SCHEMBL473904 | 0.76 | ALDH1A1 (0.46) | ASAH1ALDH1A1HPGDMAPTTHRB | |
| SCHEMBL2817228 | 0.74 | GPR55 (0.36) | KMOASAH1MAPTSMN1; SMN2CYP11B2 | |
| SCHEMBL15520687 | 0.74 | GPR55 (0.36) | KMOASAH1MAPTSMN1; SMN2CYP11B2 | |
| SCHEMBL473893 | 0.74 | KMO (0.36) | KMOASAH1CMA1CTSGCYP2C8 | |
| SCHEMBL12164099 | 0.74 | GPR55 (0.36) | KMOMAPTCYP11B2 |
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-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 |