Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 2/20 | 0.33 |
| ▸ | PRKCE | Q02156 | 3/20 | 0.32 |
| ▸ | MYLK | Q15746 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PRKCG | P05129 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12063377 | 0.85 | CYP2A6 (0.30) | CYP2A6 | |
| SCHEMBL2065835 | 0.79 | — | — | |
| SCHEMBL28271068 | 0.77 | CHRM2 (0.38) | SLC6A1L3MBTL1 | |
| SCHEMBL14560391 | 0.75 | NQO1 (0.33) | MEN1ALDH1A1MAPTKMT2APKM | |
| SCHEMBL1124902 | 0.75 | ALDH1A1 (0.39) | MEN1ALDH1A1MAPTKMT2ANPC1 | |
| SCHEMBL6816923 | 0.74 | PRKCI (0.33) | MEN1KMT2ANPC1PKMRAB9A | |
| SCHEMBL1491977 | 0.74 | — | — | |
| SCHEMBL255742 | 0.74 | — | — | |
| SCHEMBL3716800 | 0.74 | — | — | |
| SCHEMBL9632650 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109206417-B | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2023-01-03 | — | — | CN | disclosed |
| CN-115124520-A | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-109206417-A | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2019-01-15 | — | — | CN | disclosed |
| US-5120861-A | DIAZIRINE DERIVATIVES OF AROMATIC HETEROCYCLIC COMPOUNDS | SHELL RESEARCH LIMITED (GB) | 1992-06-09 | — | — | US | disclosed |
| EP-0432817-A1 | Diazirine derivatives of aromatic heterocyclic compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-06-19 | — | — | EP | disclosed |