Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 10/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11539000 | 1.00 | SLC6A2 (0.59) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL11541922 | 0.99 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL11541919 | 0.99 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Acetic Acid SCHEMBL11536966 | 0.94 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL11257297 | 0.90 | SLC6A4 (0.54) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL19262550 | 0.84 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL11537042 | 0.83 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL11537039 | 0.83 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL11537440 | 0.82 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Iodide SCHEMBL11535182 | 0.81 | SLC6A4 (0.73) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4141894-A | ANALGESICS, ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1979-02-27 | — | — | US | disclosed |