Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13696499 | 0.89 | NISCH (0.49) | CYP1A2TSHRCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL21291924 | 0.81 | TDP1 (0.38) | CYP1A2TSHRCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL21291927 | 0.81 | TDP1 (0.38) | CYP1A2TSHRCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL13534463 | 0.81 | MCHR1 (0.46) | CYP1A2TSHRCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL18892669 | 0.81 | MCHR1 (0.46) | CYP1A2TSHRCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL28446157 | 0.81 | SCN4A (0.44) | CYP1A2TSHRCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL14017865 | 0.80 | CYP1A2 (0.44) | CYP1A2TSHRCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10552288 | 0.79 | SCN4A (0.47) | CYP1A2TSHRCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL516178 | 0.79 | CYP1A2 (0.49) | CYP1A2TSHRCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL28446648 | 0.79 | SCN4A (0.43) | CYP1A2TSHRCYP3A4CYP2D6SLC6A2 |
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-103420880-A | Derivatives of pesticide nereistoxin and preparation method of derivatives | GAUNGXI TIANYUAN BIOCHEMISTRY | 2013-12-04 | — | — | CN | disclosed |