Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5391913 | 0.80 | KMT2A (0.57) | CYP2D6KCNH2CYP2C19KMT2ACHRM2 | |
| SCHEMBL3208256 | 0.78 | CYP1A2 (0.63) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1586528 | 0.77 | CYP2D6 (0.70) | CYP2D6HSD11B1CHRM2CHRM1OPRM1 | |
| SCHEMBL19631646 | 0.77 | TACR1 (0.40) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28041843 | 0.77 | CYP2D6 (0.39) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19613500 | 0.77 | CYP2D6 (0.70) | CYP2D6HSD11B1CHRM2CHRM1OPRM1 | |
| SCHEMBL4601165 | 0.77 | CYP2D6 (0.70) | CYP2D6HSD11B1CHRM2CHRM1OPRM1 | |
| SCHEMBL8099850 | 0.77 | CYP2D6 (0.70) | CYP2D6HSD11B1CHRM2CHRM1OPRM1 | |
| SCHEMBL4696100 | 0.77 | CYP2D6 (0.39) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27330921 | 0.77 | LMNA (0.41) | CYP2D6KCNH2CYP1A2CYP3A4CYP2C9 |
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 |