Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 13/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL4635894 | 0.86 | OPRD1 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6OPRD1 | |
| SCHEMBL229151 | 0.78 | CES2 (0.42) | OPRD1CES2CES1PTPN1NPC1 | |
| SCHEMBL230343 | 0.78 | CES2 (0.42) | SLC6A3OPRD1CES2CES1PTPN1 | |
| SCHEMBL414713 | 0.78 | SLC6A2 (0.62) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL227735 | 0.77 | CES2 (0.41) | OPRD1CES2CES1PTPN1NPC1 | |
| SCHEMBL373783 | 0.75 | HDAC1 (0.42) | OPRD1CES2CES1CA1CA2 | |
| Bromide SCHEMBL10966858 | 0.75 | OPRD1 (0.40) | OPRD1CES2CES1PTPN1NPC1 | |
| SCHEMBL9377225 | 0.72 | OPRM1 (0.50) | OPRD1 | |
| SCHEMBL414984 | 0.70 | SLC6A2 (0.79) | SLC6A2SLC6A4SLC6A3CYP2D6NPC1 | |
| SCHEMBL413666 | 0.70 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3CYP2D6OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2058306-A1 | Heteroaryl-substituted 2-pyridinyl-methylamine derivatives | SCHWARZ PHARMA AG (DE) | 2009-05-13 | — | — | EP | disclosed |