Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.35 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.33 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3102053 | 0.80 | CYP1A1 (0.35) | CYP1A1CYP1B1CYP11B1CYP11B2MKNK2 | |
| SCHEMBL3102059 | 0.78 | CYP1A1 (0.39) | CYP1A1CYP1B1CYP11B1CYP11B2MKNK2 | |
| Boric Acid SCHEMBL27885087 | 0.78 | ENPP2 (0.49) | CYP3A4ALDH1A1 | |
| SCHEMBL219239 | 0.76 | CYP11B1 (0.34) | CYP1A1CYP1B1CYP11B1CYP11B2MKNK2 | |
| SCHEMBL17312049 | 0.76 | ALDH1A1 (0.48) | CYP1A1CYP1B1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL14805696 | 0.76 | CYP1A1 (0.47) | CYP1A1CYP1B1CYP11B1CYP11B2MKNK2 | |
| Boric Acid SCHEMBL27956737 | 0.74 | MAPT (0.43) | — | |
| Boric Acid SCHEMBL27906679 | 0.73 | CHRNB2 (0.41) | CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL744752 | 0.73 | CYP1A1 (0.61) | CYP1A1CYP1B1CYP11B1CYP11B2MKNK2 | |
| Boric Acid SCHEMBL27908262 | 0.72 | CYP1A2 (0.36) | CYP3A4CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102933564-A | 5, 6-dihydro-2H- [1,4] oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA NV | 2013-02-13 | — | — | CN | disclosed |