Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 9/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 2/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL3475355 | 0.84 | GRM2 (0.35) | CYP11B1CYP11B2CYP17A1GRM2CYP3A4 | |
| SCHEMBL3476991 | 0.83 | GRM2 (0.35) | GRM2 | |
| SCHEMBL3475398 | 0.82 | GRM2 (0.33) | CYP11B1CYP11B2GRM2CYP1A2 | |
| SCHEMBL3475638 | 0.81 | GRM2 (0.37) | GRM2SLC22A12 | |
| SCHEMBL7816241 | 0.80 | GRM2 (0.40) | GRM2SLC22A12MKNK1MKNK2 | |
| SCHEMBL3469755 | 0.80 | CNR1 (0.37) | CYP11B1GRM2CYP3A4SLC22A12CYP1A2 | |
| SCHEMBL3475817 | 0.79 | GRM2 (0.36) | CYP17A1GRM2 | |
| SCHEMBL3474766 | 0.78 | GRM2 (0.39) | GRM2 | |
| SCHEMBL7819039 | 0.77 | GRM2 (0.36) | CYP17A1GRM2CYP3A4CYP1A2PDE2A | |
| SCHEMBL7819300 | 0.76 | GRM2 (0.39) | GRM2CYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010141360-A1 | BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | disclosed |