Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL16880499 | 0.82 | PSIP1 (0.43) | ALDH1A1CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL1974464 | 0.76 | CA2 (0.46) | KMT2ACA2 | |
| SCHEMBL4365964 | 0.74 | CA2 (0.39) | ALDH1A1CYP3A4CYP2C9CYP2C19PSIP1 | |
| SCHEMBL1448262 | 0.74 | SMN1; SMN2 (0.37) | ALDH1A1 | |
| SCHEMBL4358128 | 0.72 | ALDH1A1 (0.39) | ALDH1A1CYP2C9CYP2C19CA2 | |
| SCHEMBL23977166 | 0.70 | LOXL2 (0.39) | ALDH1A1CYP3A4CYP2C9CYP2C19PSIP1 | |
| SCHEMBL2778514 | 0.70 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL1459844 | 0.69 | ALDH1A1 (0.41) | ALDH1A1HTTNPC1KMT2A | |
| Hydrochloric Acid SCHEMBL23751236 | 0.68 | ALDH1A1 (0.67) | ALDH1A1CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL6644105 | 0.68 | CA1 (0.50) | KMT2ACA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115916194-A | Methods for delaying, preventing and treating acquired resistance to RAS inhibitors | 锐新医药公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-112771054-A | C40-, C28-and C-32-linked rapamycin analogs as mTOR inhibitors | 锐新医药公司 | 2021-05-07 | — | — | CN | disclosed |