Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.66 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | CLK1 | P49759 | 2/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.52 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | F12 | P00748 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31402830 | 1.00 | CYP2A6 (0.66) | CYP2A6HSD17B1KMT2AMEN1NPC1 | |
| SCHEMBL31402831 | 1.00 | CYP2A6 (0.66) | CYP2A6HSD17B1KMT2AMEN1NPC1 | |
| SCHEMBL1177919 | 0.94 | KMT2A (0.58) | CYP2A6HSD17B1KMT2AMEN1NPC1 | |
| SCHEMBL29451111 | 0.89 | CYP2A6 (0.79) | CYP2A6HSD17B1KMT2AMEN1NPC1 | |
| SCHEMBL599006 | 0.89 | CYP2A6 (0.79) | CYP2A6HSD17B1KMT2AMEN1NPC1 | |
| SCHEMBL21215857 | 0.82 | CYP2A6 (0.69) | CYP2A6KMT2AMEN1NPC1RAB9A | |
| SCHEMBL15105728 | 0.82 | CYP2A6 (0.69) | CYP2A6KMT2AMEN1NPC1RAB9A | |
| SCHEMBL834744 | 0.82 | CYP2A6 (0.68) | CYP2A6KMT2AMEN1NPC1RAB9A | |
| SCHEMBL9615655 | 0.81 | LCK (0.64) | CYP2A6HSD17B1KMT2AMEN1NPC1 | |
| SCHEMBL3558873 | 0.81 | CYP2A6 (0.68) | CYP2A6KMT2AMEN1NPC1RAB9A |
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-2025049644-A1 | NOX4 INHIBITORS AND METHODS OF USING SAME | THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) | 2025-03-06 | — | — | WO | disclosed |