Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | CPB1 | P15086 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21551011 | 0.84 | ALDH1A1 (0.48) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL10007445 | 0.81 | EPHX1 (0.50) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL1770161 | 0.78 | ALDH1A1 (0.46) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL1770399 | 0.77 | KDM1A (0.46) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL1870932 | 0.75 | ALDH1A1 (0.67) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL10008770 | 0.75 | TSHR (0.48) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL10008768 | 0.75 | TSHR (0.48) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL24273691 | 0.74 | CTSL (0.51) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL31287279 | 0.74 | DPP4 (0.45) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL24041196 | 0.73 | STS (0.46) | ALDH1A1HSD11B1SMN1; SMN2NPC1RAB9A |
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-114980976-A | Covalent RAS inhibitors and uses thereof | 锐新医药公司 | 2022-08-30 | — | — | CN | disclosed |