Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 12/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.45 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL26242505 | 0.78 | MAOB (0.44) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL26242537 | 0.78 | MAPT (0.43) | ALDH1A1CYP1A2KDM4ELMNATP53 | |
| SCHEMBL30385344 | 0.74 | CYP2A6 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL18818721 | 0.73 | CYP2A6 (0.67) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL13910994 | 0.71 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28058405 | 0.70 | CYP2A6 (0.53) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL5931880 | 0.70 | CYP2A6 (0.53) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL16826037 | 0.70 | CYP2A6 (0.53) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL9807161 | 0.70 | NPSR1 (0.61) | CYP2A6CYP3A4ALDH1A1KDM4ELMNA | |
| SCHEMBL26242506 | 0.70 | CNR1 (0.45) | ALDH1A1KDM4ELMNAMAPTALOX15 |
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-2023150201-A2 | SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE | LATIGO BIOTHERAPEUTICS, INC. (US) | 2023-08-10 | — | — | WO | disclosed |