Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | UBE2I | P63279 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.40 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30009926 | 0.85 | HTT (0.46) | ALDH1A1MAPTTSHRSMN1; SMN2HPGD | |
| SCHEMBL30009368 | 0.77 | MAPT (0.38) | MAPTHPGDBRD4KMT2AMEN1 | |
| SCHEMBL30009284 | 0.75 | KMT2A (0.49) | ALDH1A1CYP1A2CYP2C19MAPTSMN1; SMN2 | |
| SCHEMBL8532730 | 0.72 | BRD4 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4942493 | 0.71 | LMNA (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL38660501 | 0.70 | LMNA (0.47) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28516197 | 0.70 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30009649 | 0.69 | ACHE (0.41) | ALDH1A1CYP3A4MAPTSMN1; SMN2HPGD | |
| SCHEMBL7384945 | 0.69 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30009059 | 0.68 | KMT2A (0.53) | ALDH1A1TSHRSMN1; SMN2BRD4KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-115141212-A | Synthetic method of benzoazacyclo skeleton containing oxygen bridged ring | 南通大学 | 2022-10-04 | — | — | CN | claimed |
| CN-115141212-A | Synthetic method of benzoazacyclo skeleton containing oxygen bridged ring | 南通大学 | 2022-10-04 | — | — | CN | disclosed |