Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | WRN | Q14191 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 8/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19303664 | 0.87 | MGLL (0.39) | CYP1A2ALDH1A1BLMHPGDCYP2C19 | |
| SCHEMBL23315749 | 0.79 | ALDH1A1 (0.30) | CYP1A2ALDH1A1BLMHPGDCYP2C19 | |
| SCHEMBL13727044 | 0.75 | PTGS1 (0.46) | CYP1A2ALDH1A1BLMHPGDCYP2C19 | |
| SCHEMBL21901944 | 0.74 | MGLL (0.38) | CYP1A2ALDH1A1BLMHPGDCYP2C19 | |
| SCHEMBL13175748 | 0.73 | MGLL (0.35) | CYP1A2ALDH1A1BLMHPGDCYP2C19 | |
| SCHEMBL19818752 | 0.73 | PTGS1 (0.38) | CYP1A2ALDH1A1BLMHPGDCYP2C19 | |
| SCHEMBL21011730 | 0.72 | ACLY (0.36) | CYP1A2PPARATTRCYP2C8CHRM1 | |
| SCHEMBL21083165 | 0.70 | ACLY (0.37) | CYP1A2PPARATTRCYP2C8CHRM1 | |
| SCHEMBL25113352 | 0.70 | ACLY (0.37) | CYP1A2PPARATTRCYP2C8CHRM1 | |
| SCHEMBL23096207 | 0.69 | MGLL (0.38) | CYP1A2ALDH1A1BLMHPGDCYP2C19 |
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-3086815-B1 | SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES | ZYMEWORKS INC (CA) | 2022-02-09 | — | — | EP | disclosed |