Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 7/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.49 |
| ▸ | CRYZ | Q08257 | 1/20 | 0.49 |
| ▸ | VAT1 | Q99536 | 1/20 | 0.49 |
| ▸ | RTN4 | Q9NQC3 | 1/20 | 0.49 |
| ▸ | AKT2 | P31751 | 2/20 | 0.42 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | SSTR2 | P30874 | 4/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 4/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.38 |
| ▸ | STK4 | Q13043 | 1/20 | 0.38 |
| ▸ | STK3 | Q13188 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23415237 | 1.00 | KRAS (0.49) | KRASEGFRHMOX2CRYZVAT1 | |
| Hydrochloric Acid SCHEMBL23415303 | 0.99 | KRAS (0.49) | KRASEGFRHMOX2CRYZVAT1 | |
| Hydrochloric Acid SCHEMBL29888512 | 0.99 | KRAS (0.49) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL29888636 | 0.88 | KRAS (0.50) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL23415473 | 0.88 | KRAS (0.50) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL23415461 | 0.85 | CYP1A2 (0.52) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL29889020 | 0.85 | CYP1A2 (0.52) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL28833844 | 0.85 | KRAS (0.54) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL23415476 | 0.84 | KRAS (0.51) | KRASEGFRHMOX2CRYZVAT1 | |
| SCHEMBL29901300 | 0.84 | KRAS (0.51) | 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 |