Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | GCK | P35557 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL480120 | 0.75 | AR (0.38) | GRM2SCN9AGRM5CYP11B1CYP11B2 | |
| SCHEMBL30689353 | 0.73 | CYP19A1 (0.49) | KCNH2GRM2SCN9AGRM5CYP19A1 | |
| SCHEMBL479812 | 0.68 | HTR2A (0.47) | HTR2AKCNH2SCN9ASLC6A4PGR | |
| SCHEMBL479920 | 0.68 | SCN9A (0.36) | HTR2AKCNH2GRM2SCN9ASLC6A4 | |
| SCHEMBL479759 | 0.67 | CYP11B1 (0.40) | KCNH2GRM2SCN9ACYP11B1CYP11B2 | |
| SCHEMBL14833394 | 0.64 | HTR2A (0.56) | HTR2AKCNH2SLC6A4CYP11B1CYP11B2 | |
| SCHEMBL9889460 | 0.64 | HTR2A (0.46) | HTR2AKCNH2SLC6A4CYP19A1 | |
| SCHEMBL22349702 | 0.63 | AR (0.46) | HTR2AKCNH2SCN9ASLC6A4CYP19A1 | |
| SCHEMBL922673 | 0.63 | HTR2A (0.52) | HTR2AKCNH2SLC6A4PGR | |
| SCHEMBL3700809 | 0.62 | KCNH2 (0.49) | HTR2AKCNH2SCN9ASLC6A4 |
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-2411361-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |