Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.57 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.52 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.52 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | ANPEP | P15144 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21910026 | 0.85 | CARM1 (0.52) | EPHX1CARM1PRMT6PRMT8OPRK1 | |
| SCHEMBL13428461 | 0.85 | CARM1 (0.52) | EPHX1CARM1PRMT6PRMT8OPRK1 | |
| SCHEMBL496176 | 0.83 | CSNK1E (0.51) | EPHX1CARM1PRMT6PRMT8OPRK1 | |
| SCHEMBL172932 | 0.82 | EPHX1 (0.64) | EPHX1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL447982 | 0.82 | EPHX1 (0.64) | EPHX1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL172909 | 0.82 | EPHX1 (0.64) | EPHX1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13428442 | 0.82 | SIGMAR1 (0.49) | CARM1PRMT6PRMT8ANPEPTAAR1 | |
| Hydrochloric Acid SCHEMBL496241 | 0.82 | CSNK1E (0.50) | EPHX1CARM1PRMT6PRMT8OPRK1 | |
| Hydrochloric Acid SCHEMBL5640811 | 0.81 | EPHX1 (0.61) | EPHX1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1006191 | 0.81 | CARM1 (0.55) | CARM1PRMT6PRMT8OPRK1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0041757-B1 | ETHYLENDIAMINE DERIVATIVES, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND INTERMEDIATES FOR THEIR PREPARATION | Simes S.p.A. (IT) | 1984-11-07 | — | — | EP | disclosed |
| EP-0041757-A1 | Ethylendiamine derivatives, preparation thereof, pharmaceutical compositions containing same and intermediates for their preparation | Simes S.p.A. (IT) | 1981-12-16 | — | — | EP | disclosed |