Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25870424 | 0.87 | ALDH1A1 (0.42) | CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL25876511 | 0.84 | CYP2D6 (0.51) | CYP2D6ALDH1A1SMN1; SMN2CYP3A4MAPK1 | |
| SCHEMBL25870433 | 0.83 | ALDH1A1 (0.48) | CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL25876613 | 0.81 | ALDH1A1 (0.49) | CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL25870580 | 0.77 | CYP2D6 (0.54) | CYP2D6ALDH1A1SMN1; SMN2CYP3A4MAPK1 | |
| SCHEMBL25870581 | 0.74 | MEN1 (0.43) | CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL26202348 | 0.74 | ALDH1A1 (0.44) | CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL25870578 | 0.73 | PIK3CD (0.46) | CYP2D6ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL24411730 | 0.73 | CYP2D6 (0.51) | CYP2D6ALDH1A1KMT2ASMN1; SMN2CYP3A4 | |
| SCHEMBL24411744 | 0.71 | SMN1; SMN2 (0.47) | CYP2D6ALDH1A1MEN1KMT2ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2023116920-A1 | PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 杭州多域生物技术有限公司 | 2023-06-29 | — | — | WO | disclosed |