Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28669034 | 0.73 | NPSR1 (0.51) | SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL6559583 | 0.73 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1CTSLCTSBCTSK | |
| SCHEMBL4187442 | 0.72 | TSHR (0.44) | SMN1; SMN2ALDH1A1POLBLMNAATM | |
| SCHEMBL7808415 | 0.72 | TSHR (0.42) | SMN1; SMN2ALDH1A1CTSKPOLBGAA | |
| SCHEMBL6559617 | 0.72 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1LMNAATMMEN1 | |
| SCHEMBL4192409 | 0.71 | TSHR (0.42) | SMN1; SMN2ALDH1A1GAALMNAMEN1 | |
| Hydrochloric Acid SCHEMBL27915254 | 0.69 | TSHR (0.41) | SMN1; SMN2ALDH1A1GAALMNAMEN1 | |
| SCHEMBL24739917 | 0.69 | ADAM17 (0.41) | SMN1; SMN2ALDH1A1POLBSIGMAR1GAA | |
| SCHEMBL27704438 | 0.69 | POLB (0.39) | POLB | |
| SCHEMBL25281562 | 0.68 | POLB (0.35) | SMN1; SMN2ALDH1A1CTSLCTSBCTSK |
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-116891454-A | Small molecule inhibitor, preparation method and application thereof in preparation of anticancer drugs | 山东省药学科学院 | 2023-10-17 | — | — | CN | disclosed |