Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ICMT | O60725 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11081989 | 0.86 | SLC6A4 (0.44) | SLC6A4SLC6A2SLC22A1ALDH1A1ICMT | |
| Hydrochloric Acid SCHEMBL11088197 | 0.85 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC22A1ALDH1A1ICMT | |
| SCHEMBL11082812 | 0.83 | SLC6A4 (0.40) | SLC6A4SLC6A2SLC22A1ALDH1A1ICMT | |
| SCHEMBL11080081 | 0.83 | SLC22A1 (0.44) | SLC6A4SLC6A2SLC22A1ALDH1A1OPRM1 | |
| SCHEMBL11088698 | 0.82 | KDM1A (0.38) | SLC6A4SLC6A2SLC22A1ALDH1A1KDM1A | |
| SCHEMBL11081030 | 0.81 | SLC6A4 (0.39) | SLC6A4SLC6A2SLC22A1KDM1AOPRM1 | |
| SCHEMBL11086716 | 0.81 | SLC6A4 (0.40) | SLC6A4SLC6A2SLC22A1ALDH1A1KDM1A | |
| SCHEMBL11090776 | 0.81 | KDM1A (0.42) | SLC6A4SLC6A2SLC22A1KDM1AOPRM1 | |
| SCHEMBL11081948 | 0.81 | MTNR1A (0.47) | ALDH1A1 | |
| SCHEMBL11081659 | 0.79 | SLC6A2 (0.44) | SLC6A4SLC6A2SLC22A1KDM1AOPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4448991-A | ANALGESICS | HOFFMANN-LA ROCHE INC. (US) | 1984-05-15 | — | — | US | disclosed |
| US-4336268-A | Cyclohexene derivative analgesics | HOFFMANN-LA ROCHE INC. (US) | 1982-06-22 | — | — | US | disclosed |