Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 3/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13475648 | 0.85 | HDAC6 (0.51) | MAOBHDAC6CYP1A1CYP1A2FYN | |
| SCHEMBL25106234 | 0.80 | APP (0.48) | MAOBMAOAAPPHSD17B1HSD17B2 | |
| SCHEMBL25105975 | 0.80 | APP (0.48) | MAOBMAOAAPPHSD17B1HSD17B2 | |
| SCHEMBL25105981 | 0.80 | APP (0.48) | MAOBMAOAAPPHSD17B1HSD17B2 | |
| SCHEMBL25106242 | 0.80 | APP (0.48) | MAOBMAOAAPPHSD17B1HSD17B2 | |
| SCHEMBL17190898 | 0.79 | ESR1 (0.54) | ESR1ESR2CYP1A2APPHSD17B1 | |
| SCHEMBL24495260 | 0.78 | ESR1 (0.48) | ESR1ESR2MAOBHDAC6MAOA | |
| SCHEMBL24495255 | 0.77 | ESR1 (0.50) | ESR1ESR2MAOBHDAC6MAOA | |
| SCHEMBL24368472 | 0.75 | ESR1 (0.57) | ESR1ESR2CYP1A1APPHSD17B1 | |
| SCHEMBL24368616 | 0.75 | HDAC6 (0.48) | MAOBHDAC6CYP1A1CYP1A2FYN |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1817272-B1 | COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2010-02-03 | — | — | EP | disclosed |