Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22809581 | 0.89 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL3649246 | 0.89 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28350721 | 0.87 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL19075622 | 0.72 | SCN9A (0.43) | CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28354400 | 0.70 | SMN1; SMN2 (0.49) | CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL19083934 | 0.70 | SCN9A (0.41) | CYP3A4CYP2C19 | |
| SCHEMBL14051590 | 0.68 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL20697770 | 0.68 | SCN9A (0.40) | CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL22809491 | 0.68 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL22809492 | 0.68 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3487839-B1 | AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS | RAQUALIA PHARMA INC (JP) | 2020-12-23 | — | — | EP | disclosed |