Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 3/20 | 0.35 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | BDKRB1 | P46663 | 3/20 | 0.31 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | CTSC | P53634 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15520731 | 0.91 | GPR55 (0.35) | ALDH1A1TP53GPR55KMOCYP11B2 | |
| SCHEMBL15520282 | 0.88 | GPR55 (0.37) | TP53GPR55CUL4APOLBKMO | |
| SCHEMBL12342539 | 0.88 | ALDH1A1 (0.36) | ALDH1A1TP53GPR55POLBBDKRB1 | |
| SCHEMBL12164097 | 0.88 | ALDH1A1 (0.36) | ALDH1A1TP53GPR55POLBBDKRB1 | |
| SCHEMBL473850 | 0.88 | ALDH1A1 (0.36) | ALDH1A1TP53GPR55POLBBDKRB1 | |
| SCHEMBL15520208 | 0.87 | GPR55 (0.36) | TP53GPR55CUL4APOLBKMO | |
| SCHEMBL15520087 | 0.86 | GPR55 (0.35) | TP53GPR55POLBKMOCYP11B2 | |
| SCHEMBL15520708 | 0.85 | CYP11B2 (0.38) | ALDH1A1TP53GPR55POLBKMO | |
| SCHEMBL15520636 | 0.85 | GPR55 (0.35) | GPR55KMOCYP11B2CTSCKCNJ1 | |
| SCHEMBL15520263 | 0.85 | GPR55 (0.35) | GPR55KMOCYP11B2CTSCKCNJ1 |
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 |