Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 8/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.54 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.54 |
| ▸ | CRYZ | Q08257 | 1/20 | 0.54 |
| ▸ | VAT1 | Q99536 | 1/20 | 0.54 |
| ▸ | RTN4 | Q9NQC3 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 6/20 | 0.37 |
| ▸ | CNR2 | P34972 | 4/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29888384 | 0.85 | KRAS (0.49) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL23415237 | 0.85 | KRAS (0.49) | KRASEGFRHMOX2CRYZVAT1 | |
| Hydrochloric Acid SCHEMBL29888512 | 0.84 | KRAS (0.49) | KRASEGFRHMOX2CRYZVAT1 | |
| Hydrochloric Acid SCHEMBL23415303 | 0.84 | KRAS (0.49) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL23415476 | 0.84 | KRAS (0.51) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL29901300 | 0.84 | KRAS (0.51) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL23415473 | 0.83 | KRAS (0.50) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL29888636 | 0.83 | KRAS (0.50) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL23415339 | 0.83 | KRAS (0.51) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL16646882 | 0.81 | KRAS (0.77) | KRASEGFRHMOX2CRYZVAT1 |
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 |