Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 2/20 | 0.62 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.59 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.53 |
| ▸ | ABAT | P80404 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8503457 | 1.00 | OPRK1 (0.62) | OPRK1TAAR1SLC6A2SLC7A5ABAT | |
| Hydrochloric Acid SCHEMBL18547908 | 0.98 | OPRK1 (0.61) | OPRK1TAAR1SLC6A2SLC7A5ABAT | |
| Hydrochloric Acid SCHEMBL8842236 | 0.98 | OPRK1 (0.61) | OPRK1TAAR1SLC6A2SLC7A5ABAT | |
| Hydrochloric Acid SCHEMBL10902428 | 0.84 | SLC7A5 (0.57) | OPRK1TAAR1SLC6A2SLC7A5ESR1 | |
| SCHEMBL2992550 | 0.84 | TAAR1 (0.61) | OPRK1TAAR1SLC6A2SLC7A5ABAT | |
| SCHEMBL80783 | 0.84 | TAAR1 (0.61) | OPRK1TAAR1SLC6A2SLC7A5ABAT | |
| SCHEMBL148531 | 0.84 | TAAR1 (0.61) | OPRK1TAAR1SLC6A2SLC7A5ABAT | |
| SCHEMBL28689241 | 0.83 | TAAR1 (0.55) | OPRK1TAAR1SLC6A2SLC7A5ABAT | |
| Iodide SCHEMBL9393026 | 0.82 | TAAR1 (0.59) | OPRK1TAAR1SLC6A2SLC7A5ABAT | |
| Hydrochloric Acid SCHEMBL1168215 | 0.82 | TAAR1 (0.59) | OPRK1TAAR1SLC6A2SLC7A5ABAT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022048922-A1 | SUBSTITUTED VICINAL DIAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF PAIN | Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) | 2022-03-10 | — | — | WO | disclosed |
| WO-2020125546-A1 | CONNECTOR FOR USE IN ANTIBODY MEDICAMENT CONJUGATE AND APPLICATIONS OF CONNECTOR | 荣昌生物制药（烟台）有限公司 | 2020-06-25 | — | — | WO | disclosed |