Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOX1 | Q9Y5S8 | 3/20 | 0.73 |
| ▸ | GAA | P10253 | 7/20 | 0.64 |
| ▸ | PLK4 | O00444 | 1/20 | 0.61 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.61 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.61 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.61 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.61 |
| ▸ | PRKCG | P05129 | 1/20 | 0.61 |
| ▸ | PIM1 | P11309 | 1/20 | 0.61 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.61 |
| ▸ | CDK2 | P24941 | 1/20 | 0.61 |
| ▸ | AXL | P30530 | 1/20 | 0.61 |
| ▸ | AKT1 | P31749 | 1/20 | 0.61 |
| ▸ | AKT2 | P31751 | 1/20 | 0.61 |
| ▸ | PRKCI | P41743 | 1/20 | 0.61 |
| ▸ | SYK | P43405 | 1/20 | 0.61 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.61 |
| ▸ | CLK2 | P49760 | 1/20 | 0.61 |
| ▸ | GSK3A | P49840 | 1/20 | 0.61 |
| ▸ | GSK3B | P49841 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL469849 | 0.88 | NOX1 (0.84) | NOX1GAAPLK4DAPK3RPS6KA5 | |
| SCHEMBL19277757 | 0.84 | KMT2A (0.74) | NOX1GAAPLK4DAPK3RPS6KA5 | |
| SCHEMBL28641155 | 0.84 | NOX1 (0.66) | NOX1GAAPLK4DAPK3RPS6KA5 | |
| SCHEMBL28679366 | 0.81 | GAA (0.71) | NOX1GAAPLK4DAPK3RPS6KA5 | |
| SCHEMBL10099725 | 0.80 | GAA (0.83) | NOX1GAAMEN1KMT2APOLB | |
| SCHEMBL935849 | 0.78 | ALDH1A1 (0.64) | GAAMEN1KMT2APOLBRAB9A | |
| SCHEMBL18031169 | 0.76 | GAA (1.00) | NOX1GAAMEN1KMT2APOLB | |
| SCHEMBL10710275 | 0.76 | NOX1 (0.85) | NOX1GAAMEN1KMT2APOLB | |
| SCHEMBL8014406 | 0.76 | GAA (0.81) | NOX1GAAMEN1KMT2ARAB9A | |
| SCHEMBL457622 | 0.76 | GAA (0.64) | NOX1GAAPLK4DAPK3RPS6KA5 |
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-2012033601-A1 | THIOSEMICARBAZONES WITH MDR1 - INVERSE ACTIVITY | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2012-03-15 | — | — | WO | disclosed |