Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28182083 | 0.95 | ALDH1A1 (0.34) | ALDH1A1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL3023 | 0.95 | — | — | |
| SCHEMBL41347 | 0.78 | — | — | |
| SCHEMBL28182085 | 0.77 | CHRM2 (0.31) | CHRM2CHRM4CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL4386155 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL236721 | 0.75 | CHRM2 (0.37) | ALDH1A1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL9230930 | 0.75 | ALDH1A1 (0.34) | ALDH1A1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL6660567 | 0.75 | MAPK1 (0.39) | ALDH1A1TP53 | |
| Clorethate SCHEMBL41346 | 0.75 | CHRM2 (0.39) | ALDH1A1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL9230926 | 0.74 | ALDH1A1 (0.32) | ALDH1A1TP53TSHRPOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2294067-B1 | PREPARATION OF N-6 DEMETHYLATED, 9-10-DIHYDROLYSERGIC ACID ALKYL ESTERS | LEK PHARMACEUTICALS (SI) | 2015-02-18 | — | — | EP | disclosed |
| EP-2294067-A1 | PREPARATION OF N-6 DEMETHYLATED, 9-10-DIHYDROLYSERGIC ACID ALKYL ESTERS | LEK Pharmaceuticals d.d. (SI) | 2011-03-16 | — | — | EP | disclosed |
| WO-2009133097-A1 | PREPARATION OF N-6 DEMETHYLATED, 9-10-DIHYDROLYSERGIC ACID ALKYL ESTERS | LEK PHARMACEUTICALS D.D. (SI) | 2009-11-05 | — | — | WO | disclosed |
| EP-2113504-A1 | Preparation of N-6 demethylated, 9,10-dihydrolysergic acid alkyl esters | LEK Pharmaceuticals D.D. (SI) | 2009-11-04 | — | — | EP | disclosed |