Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28920788 | 0.81 | HTT (0.60) | HTTALDH1A1SMN1; SMN2TSHRMEN1 | |
| SCHEMBL9733462 | 0.75 | GAA (0.48) | GAAESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL9733754 | 0.74 | ALDH1A1 (0.44) | GAAESR2ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9733514 | 0.73 | CA5A (0.42) | HTTGAAESR2ALDH1A1KDM4E | |
| SCHEMBL17610980 | 0.69 | PTGER1 (0.51) | ALDH1A1KDM4EHPGDHSD17B10ATM | |
| Bicarbonate SCHEMBL28309385 | 0.67 | ALDH1A1 (0.51) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL20551539 | 0.64 | ALDH1A1 (0.41) | GAAALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL15964628 | 0.64 | BRS3 (0.43) | CNR2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL16798247 | 0.64 | ALDH1A1 (0.42) | GAAESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL17610935 | 0.63 | P2RY14 (0.48) | GAAALDH1A1KDM4EHPGDHSD17B10 |
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-113166116-B | Amido bridged heterocyclic compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-12-27 | — | — | CN | disclosed |