Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL20536090 | 0.85 | CYP2D6 (0.54) | CYP2D6KMT2AALDH1A1MEN1LMNA | |
| SCHEMBL17956885 | 0.80 | CYP2D6 (0.34) | CYP2D6KMT2AALDH1A1MEN1LMNA | |
| SCHEMBL4392254 | 0.78 | CYP2D6 (0.45) | CYP2D6KMT2AALDH1A1MEN1LMNA | |
| SCHEMBL27968133 | 0.78 | ATM (0.38) | CYP2D6KMT2AALDH1A1MEN1LMNA | |
| SCHEMBL10527232 | 0.77 | MEN1 (0.59) | CYP2D6KMT2AMEN1OPRD1KCNH2 | |
| SCHEMBL4601165 | 0.77 | CYP2D6 (0.70) | CYP2D6ALDH1A1OPRD1HSD11B1OPRM1 | |
| SCHEMBL1586528 | 0.77 | CYP2D6 (0.70) | CYP2D6ALDH1A1OPRD1HSD11B1OPRM1 | |
| SCHEMBL8099850 | 0.77 | CYP2D6 (0.70) | CYP2D6ALDH1A1OPRD1HSD11B1OPRM1 | |
| SCHEMBL19613500 | 0.77 | CYP2D6 (0.70) | CYP2D6ALDH1A1OPRD1HSD11B1OPRM1 | |
| SCHEMBL7209211 | 0.76 | L3MBTL1 (0.46) | KMT2AALDH1A1MEN1HSD11B1CHRM2 |
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-103288824-B | Tetrahydropyridine Pyridione derivatives, its preparation method and application | SHANGHAI NORMAL UNIVERSITY (CN) | 2015-12-09 | — | — | CN | disclosed |