Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1768349 | 0.81 | SCN8A (0.51) | CYP1A2CYP2D6SCN8AALDH1A1MAPT | |
| SCHEMBL1768500 | 0.79 | CYP1A2 (0.41) | CYP1A2CYP2D6SCN8AALDH1A1MAPT | |
| SCHEMBL11896946 | 0.79 | CYP1A2 (0.54) | CYP1A2CYP2D6SCN8AALDH1A1MAPT | |
| SCHEMBL1768416 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP2D6SCN8AALDH1A1MAPT | |
| SCHEMBL11896947 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2D6SCN8AALDH1A1MAPT | |
| SCHEMBL12649293 | 0.76 | CYP1A2 (0.51) | CYP1A2CYP2D6SCN8AALDH1A1MAPT | |
| SCHEMBL1768208 | 0.75 | SCN8A (0.52) | CYP1A2CYP2D6SCN8AALDH1A1MAPT | |
| SCHEMBL1768182 | 0.74 | CYP2D6 (0.72) | CYP1A2CYP2D6SCN8AALDH1A1TSHR | |
| SCHEMBL1768240 | 0.72 | SCN1A (0.45) | CYP1A2CYP2D6SCN8AALDH1A1MAPT | |
| SCHEMBL1768480 | 0.69 | CYP2D6 (0.42) | CYP1A2CYP2D6SCN8AALDH1A1MAPT |
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-2011061469-A1 | INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS | UNIVERSITY COLLEGE LONDON (GB) | 2011-05-26 | — | — | WO | disclosed |