Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5262760 | 0.84 | CYP2D6 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL12226073 | 0.84 | CYP2D6 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL17508328 | 0.82 | CYP2C19 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 | |
| Hydrochloric Acid SCHEMBL27681411 | 0.82 | CYP2D6 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL12616732 | 0.82 | CYP1A2 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL21279895 | 0.79 | KMT2A (0.55) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL6203699 | 0.78 | TDP1 (0.55) | CYP3A4CYP2D6CYP2C19TDP1L3MBTL1 | |
| SCHEMBL8704903 | 0.77 | ATM (0.45) | CYP3A4TDP1L3MBTL1ALDH1A1LMNA | |
| SCHEMBL7023550 | 0.76 | MEN1 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL14401349 | 0.76 | SMN1; SMN2 (0.56) | CYP3A4CYP1A2CYP2D6CYP2C19LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-112538068-A | Novel method for preparing multi-substituted electron-rich five-membered heterocyclic ring | 山东领海生物科技有限公司 | 2021-03-23 | — | — | CN | disclosed |