Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | MTR | Q99707 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24152329 | 0.82 | GSK3B (0.50) | ALDH1A1SIGMAR1SMN1; SMN2GSK3AGSK3B | |
| SCHEMBL28980928 | 0.78 | DRD2 (0.43) | ALDH1A1OPRL1LMNAL3MBTL1GSK3A | |
| SCHEMBL30337586 | 0.73 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A | |
| SCHEMBL30337109 | 0.73 | TSHR (0.47) | SIGMAR1ACHEOPRM1OPRL1MEN1 | |
| SCHEMBL28980935 | 0.73 | KDM4E (0.47) | ALDH1A1SMN1; SMN2GSK3AGSK3BMEN1 | |
| SCHEMBL30336973 | 0.73 | KMT2A (0.49) | SIGMAR1ACHEOPRM1OPRL1MEN1 | |
| SCHEMBL30337155 | 0.73 | TACR1 (0.43) | ALDH1A1ACHESMN1; SMN2KMT2ATACR1 | |
| SCHEMBL30337242 | 0.72 | HTR1A (0.44) | OPRM1OPRL1 | |
| SCHEMBL24939934 | 0.72 | CYP2D6 (0.56) | ALDH1A1LMNATP53SMN1; SMN2L3MBTL1 | |
| SCHEMBL24939864 | 0.71 | CHRNA7 (0.49) | OPRM1SMN1; SMN2 |
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-115916206-A | Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same | 治愈医药社株式会社 | 2023-04-04 | — | — | CN | disclosed |