Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22551273 | 0.80 | CYP1A2 (0.32) | CYP1A2CYP3A4ALDH1A1MAPTCYP2C9 | |
| SCHEMBL26603612 | 0.79 | CYP1A2 (0.31) | CYP1A2CYP3A4ALDH1A1MAPTCYP2C9 | |
| SCHEMBL29263596 | 0.77 | ALDH1A1 (0.35) | CYP1A2CYP3A4ALDH1A1MAPTCYP2C9 | |
| SCHEMBL26527792 | 0.75 | EGLN1 (0.33) | — | |
| SCHEMBL22618750 | 0.68 | FAAH (0.36) | CYP1A2CYP3A4ALDH1A1MAPTCYP2C9 | |
| SCHEMBL26616605 | 0.67 | CYP1A2 (0.49) | CYP1A2CYP3A4ALDH1A1MAPTCYP2C9 | |
| SCHEMBL30029253 | 0.67 | EGLN1 (0.37) | CYP1A2CYP3A4ALDH1A1MAPTCYP2C9 | |
| SCHEMBL22561348 | 0.67 | ALDH1A1 (0.32) | CYP1A2CYP3A4ALDH1A1MAPTCYP2C9 | |
| SCHEMBL30674488 | 0.67 | ALDH1A1 (0.32) | CYP1A2CYP3A4ALDH1A1MAPTCYP2C9 | |
| SCHEMBL26540955 | 0.66 | CYP1A2 (0.35) | CYP1A2CYP3A4ALDH1A1MAPTCYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024123914-A1 | PROCESS FOR MAKING ANTIBODY-DRUG CONJUGATES | MERCK SHARP & DOHME LLC (US) | 2024-06-13 | — | — | WO | disclosed |
| WO-2023098515-A1 | METHOD FOR PREPARING DRUG-LINKER CONJUGATE | 四川科伦博泰生物医药股份有限公司 | 2023-06-08 | — | — | WO | disclosed |