Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2295837 | 0.81 | CA2 (0.43) | ALOX5TRPM4NQO2NQO1MEN1 | |
| SCHEMBL3183704 | 0.79 | ESR1 (0.49) | HSD17B1HSD17B2ERN1ALOX5BACE1 | |
| SCHEMBL3183725 | 0.78 | HSD17B1 (0.41) | HSD17B1HSD17B2ERN1TRPM4PTPN1 | |
| SCHEMBL29890237 | 0.76 | ESR1 (0.49) | HSD17B1HSD17B2ALOX5BACE1MEN1 | |
| SCHEMBL28331153 | 0.76 | ESR1 (0.49) | HSD17B1HSD17B2ALOX5BACE1MEN1 | |
| SCHEMBL1538564 | 0.75 | BACE1 (0.48) | HSD17B1HSD17B2TRPM4BACE1MEN1 | |
| SCHEMBL9954118 | 0.74 | ALOX5 (0.46) | HSD17B1HSD17B2ERN1ALOX5TRPM4 | |
| SCHEMBL22229725 | 0.73 | POLQ (0.41) | P2RX1P2RX3P2RX4P2RX7 | |
| SCHEMBL12221209 | 0.73 | CYP2C9 (0.37) | ALOX5TRPM4MEN1KMT2AMAPT | |
| SCHEMBL15063669 | 0.73 | PRKCA (0.39) | HSD17B1HSD17B2PTPN1BACE1MEN1 |
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-2007124383-A2 | 1,1'-BINAPHTHYL-BASED INHIBITORS OF NAD+-DEPENDENT DEACETYLASE ACTIVITY AND SIR2-FAMILY MEMBERS | OREGON HEALTH & SCIENCE UNIVERSITY (US) | 2007-11-01 | — | — | WO | disclosed |