Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL22809491 | 0.85 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL22809492 | 0.85 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL22809475 | 0.85 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28354502 | 0.84 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C19ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28354503 | 0.84 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C19ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28354724 | 0.84 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL17055785 | 0.79 | AGBL2 (0.41) | AGBL2CYP1A2CYP3A4CYP2C19PTGS2 | |
| SCHEMBL17055784 | 0.74 | PTGS2 (0.52) | AGBL2CYP1A2CYP3A4CYP2C19PTGS2 | |
| SCHEMBL18312359 | 0.74 | NPSR1 (0.47) | AGBL2CYP1A2CYP3A4CYP2C19PTGS2 | |
| SCHEMBL8427120 | 0.73 | KMT2A (0.47) | AGBL2CYP1A2CYP3A4CYP2C19PTGS2 |
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 |