Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | GALR3 | O60755 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL29904581 | 1.00 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL27241763 | 1.00 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL27241728 | 0.93 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL27241697 | 0.91 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL27241715 | 0.90 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL27241766 | 0.88 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL27241765 | 0.88 | CYP1A2 (0.63) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL27241722 | 0.87 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL27241729 | 0.86 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL27241760 | 0.84 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 |
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-2022183034-A1 | NRF2 INHIBITORS AND USES THEREOF CROSS-REFERENCE TO RELATED APPLICATIONS | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2022-09-01 | — | — | WO | disclosed |