Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20199302 | 0.89 | PDK2 (0.46) | APPHSD17B1HSD17B2ERN1CYP2A6 | |
| SCHEMBL20174704 | 0.85 | PDK2 (0.45) | APPHSD17B1HSD17B2ERN1CYP2A6 | |
| SCHEMBL20175215 | 0.83 | PDK2 (0.40) | APPHSD17B1HSD17B2ERN1PIK3R1 | |
| SCHEMBL7312374 | 0.81 | SIGMAR1 (0.46) | CYP2A6MGLLCHRM2CHRM4CHRM5 | |
| SCHEMBL19133572 | 0.80 | APP (0.57) | APPHSD17B1HSD17B2ERN1CYP2A6 | |
| SCHEMBL12854022 | 0.78 | APP (0.55) | APPHSD17B1HSD17B2ERN1CYP2A6 | |
| SCHEMBL27989389 | 0.76 | APP (0.57) | APPHSD17B1HSD17B2ERN1CYP2A6 | |
| SCHEMBL31026679 | 0.75 | APP (0.58) | APPHSD17B1HSD17B2ERN1CYP2A6 | |
| SCHEMBL7503046 | 0.75 | APP (0.58) | APPHSD17B1HSD17B2ERN1CYP2A6 | |
| SCHEMBL845603 | 0.73 | APP (0.63) | APPHSD17B1HSD17B2ERN1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016023458-A1 | NOVEL CARBO- AND HETEROCYCLIC SPIRO COMPOUNDS AS DONOR MATERIALS FOR ORGANIC PHOTOVOLTAICS AND THEIR PREPARATION | THE UNIVERSITY OF HONG KONG (CN) | 2016-02-18 | — | — | WO | disclosed |