Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28985177 | 1.00 | SLC6A3 (0.47) | SLC6A3SLC6A2SLC6A4CHRM2CHRM1 | |
| SCHEMBL17069296 | 0.86 | SLC6A2 (0.63) | SLC6A3SLC6A2SLC6A4CHRM2CHRM1 | |
| SCHEMBL3103040 | 0.86 | SLC6A2 (0.63) | SLC6A3SLC6A2SLC6A4CHRM2CHRM1 | |
| SCHEMBL17069299 | 0.86 | SLC6A2 (0.63) | SLC6A3SLC6A2SLC6A4CHRM2CHRM1 | |
| Ammonia Solution, Strong SCHEMBL6267830 | 0.84 | SLC6A2 (0.61) | SLC6A3SLC6A2SLC6A4CHRM2CHRM1 | |
| SCHEMBL20385395 | 0.83 | SLC6A3 (0.46) | SLC6A3SLC6A2SLC6A4CHRM2CHRM1 | |
| SCHEMBL1772723 | 0.83 | ESR1 (0.54) | SLC6A3SLC6A2SLC6A4CHRM2CHRM1 | |
| SCHEMBL56844 | 0.83 | SLC6A3 (0.46) | SLC6A3SLC6A2SLC6A4CHRM2CHRM1 | |
| SCHEMBL15470472 | 0.83 | CHRM2 (0.55) | SLC6A3SLC6A2SLC6A4CHRM2CHRM1 | |
| SCHEMBL7085951 | 0.83 | SLC6A3 (0.46) | SLC6A3SLC6A2SLC6A4CHRM2CHRM1 |
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-115974927-A | Diamine-derived phosphine chiral phosphine oxide ligand-promoted nickel-catalyzed asymmetric alkylation of pyridine C2-H bond | 南开大学 | 2023-04-18 | — | — | CN | disclosed |