Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | HRH1 | P35367 | 1/20 | 0.55 |
| ▸ | DRD3 | P35462 | 1/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10071961 | 0.92 | ADRB2 (0.52) | PTGS2ADRB2ADORA3CHRM1ADRA2B | |
| SCHEMBL11271218 | 0.87 | HDAC1 (0.45) | PTGS2ADRB2ADORA3CHRM1ADRA2B | |
| Hydrochloric Acid SCHEMBL11277285 | 0.86 | HDAC1 (0.44) | PTGS2ADRB2ADORA3CHRM1ADRA2B | |
| SCHEMBL9768039 | 0.85 | GAA (0.61) | PTGS2ADRB2ADORA3CHRM1ADRA2B | |
| Formic Acid SCHEMBL30892158 | 0.81 | MMP1 (0.46) | PTGS2GAAMEN1KMT2AMMP1 | |
| Acetic Acid SCHEMBL22551315 | 0.81 | ALPL (0.46) | PTGS2GAAMEN1KMT2AMMP1 | |
| Formic Acid SCHEMBL22551318 | 0.81 | MMP1 (0.46) | PTGS2GAAMEN1KMT2AMMP1 | |
| SCHEMBL4983444 | 0.80 | DPP4 (0.64) | PTGS2ADRB2ADORA3ADRA2BADRA2C | |
| SCHEMBL2291802 | 0.79 | NPC1 (0.63) | KCNH2KMT2AHDAC1HDAC2TAAR1 | |
| SCHEMBL2293951 | 0.79 | MGLL (0.55) | GAAKMT2AHDAC1HDAC2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116162036-A | Preparation method of epinephrine impurity | 绪必迪药业(沧州)有限公司 | 2023-05-26 | — | — | CN | disclosed |
| US-5047592-A | Selective hydrogenolysis process | ETHYL CORPORATION (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0108822-B1 | ANTIGLAUCOMA COMPOUNDS | USV PHARMACEUTICAL CORPORATION (US) | 1986-08-13 | — | — | EP | disclosed |