Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9742128 | 0.95 | HSD17B1 (0.47) | ACHEAPPCYP1A2CYP2A6RELA | |
| SCHEMBL9743076 | 0.90 | APP (0.59) | APPCYP1A2CYP2A6NQO1GRM5 | |
| SCHEMBL9742321 | 0.85 | APP (0.53) | APPCYP1A2CYP2A6NQO1CA12 | |
| SCHEMBL17086882 | 0.85 | CYP1A2 (0.59) | APPCYP1A2CYP2A6NQO1GRM5 | |
| SCHEMBL10525794 | 0.84 | ACHE (0.71) | ACHEAPPRELAARGRM5 | |
| SCHEMBL26828160 | 0.82 | APP (0.64) | ACHEAPPRELAARGRM5 | |
| SCHEMBL9744218 | 0.82 | ESR1 (0.50) | APPCYP1A2CYP2A6NQO1HPGDS | |
| SCHEMBL17086858 | 0.82 | CYP1A2 (0.60) | APPCYP1A2CYP2A6NQO1GRM5 | |
| SCHEMBL13335288 | 0.81 | CA12 (0.62) | ACHEGRM5CA12CA1CA2 | |
| SCHEMBL11470578 | 0.81 | CYP1A2 (0.52) | APPCYP1A2CYP2A6NQO1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-5084204-A | Naphthylacetylenes | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-01-28 | — | — | US | disclosed |