Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | PNMT | P11086 | 3/20 | 0.43 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL396630 | 0.84 | RIPK1 (0.47) | TAAR1SLC6A2PNMTDPP4LOXL2 | |
| Iodide SCHEMBL23274590 | 0.80 | SLC6A2 (0.50) | TAAR1SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL29987056 | 0.77 | TAAR1 (0.52) | TAAR1SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL3638610 | 0.77 | TAAR1 (0.52) | TAAR1SLC6A2SLC6A4SLC6A3HTR2A | |
| Methylamine SCHEMBL28339099 | 0.77 | PNMT (0.57) | TAAR1SLC6A2PNMTDPP4SLC6A4 | |
| SCHEMBL29405036 | 0.77 | PNMT (0.63) | TAAR1PNMTDPP4CYP2A6KDM4E | |
| SCHEMBL15247 | 0.77 | PNMT (0.63) | TAAR1PNMTDPP4CYP2A6KDM4E | |
| SCHEMBL18325596 | 0.77 | DPP4 (0.41) | TAAR1SLC6A2PNMTDPP4KDM4E | |
| SCHEMBL15638695 | 0.76 | TAAR1 (0.50) | TAAR1SLC6A2SLC6A4SLC6A3HTR2A | |
| Clortermine SCHEMBL30295323 | 0.76 | PNMT (0.52) | TAAR1SLC6A2PNMTDPP4SLC6A4 |
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-109678724-A | A kind of novel synthesis of 2- methyl-1-the third aminated compounds of substituted-phenyl-2- | 常州大学 | 2019-04-26 | — | — | CN | disclosed |