Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 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 | |
|---|---|---|---|---|
| SCHEMBL16767313 | 0.92 | BACE1 (0.38) | KCNH2BCHEACHEBACE1CYP2D6 | |
| SCHEMBL16767566 | 0.78 | BACE1 (0.34) | KCNH2OPRL1ACHEBACE1PABPC1 | |
| SCHEMBL16767201 | 0.78 | KCNH2 (0.39) | KCNH2BACE1CYP2D6PABPC1SLC6A4 | |
| SCHEMBL16767615 | 0.78 | BACE1 (0.38) | KCNH2OPRL1BCHEACHEBACE1 | |
| SCHEMBL16767639 | 0.74 | KMT2A (0.37) | KCNH2OPRL1BCHEACHEBACE1 | |
| SCHEMBL16766978 | 0.73 | KCNH2 (0.41) | KCNH2OPRL1BCHEACHEBACE1 | |
| SCHEMBL16767075 | 0.71 | BACE1 (0.38) | KCNH2OPRL1BCHEACHEBACE1 | |
| SCHEMBL16767136 | 0.70 | DPP4 (0.32) | KCNH2DPP4DPP8DPP9DPP7 | |
| SCHEMBL28832545 | 0.66 | MAOA (0.33) | — | |
| SCHEMBL28785597 | 0.65 | OPRL1 (0.50) | KCNH2OPRL1BCHEACHEBACE1 |
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-105793243-A | N-cycloalkyl-N- { [2- (1-substituted cycloalkyl) phenyl ] methylene } - (thio) carboxamide derivatives | 拜耳作物科学股份公司 | 2016-07-20 | — | — | CN | disclosed |