Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.41 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30434172 | 0.88 | — | — | |
| SCHEMBL11999815 | 0.88 | — | — | |
| Formic Acid SCHEMBL27858692 | 0.80 | HCAR2 (0.52) | CYP11B1CYP11B2HCAR2CYP17A1CYP3A4 | |
| Formic Acid SCHEMBL28134510 | 0.78 | MKNK2 (0.41) | MKNK2ROCK2MAP4K4PRKACAROCK1 | |
| SCHEMBL744752 | 0.72 | CYP1A1 (0.61) | MKNK2ROCK2MAP4K4PRKACAROCK1 | |
| SCHEMBL25552522 | 0.71 | CYP1A1 (0.45) | MKNK2ROCK2MAP4K4PRKACAROCK1 | |
| Formic Acid SCHEMBL27934885 | 0.71 | HCAR2 (0.44) | ROCK2ROCK1CYP11B1CYP11B2HCAR2 | |
| SCHEMBL431059 | 0.71 | MKNK2 (0.58) | MKNK2ROCK2MAP4K4PRKACAROCK1 | |
| SCHEMBL30577108 | 0.71 | MKNK2 (0.58) | MKNK2ROCK2MAP4K4PRKACAROCK1 | |
| SCHEMBL26698249 | 0.70 | MKNK2 (0.44) | MKNK2ROCK2MAP4K4PRKACAROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105593224-B | Novel quinazolinones as bromodomain inhibitors | 恒元生物医药科技(苏州)有限公司 | 2021-05-25 | — | — | CN | disclosed |
| CN-105164121-A | Perfluorinated cyclopropyl-fused 1, 3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use thereof | AMGEN INC | 2015-12-16 | — | — | CN | disclosed |