Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 20/20 | 0.68 |
| ▸ | VHL | P40337 | 1/20 | 0.49 |
| ▸ | CDK7 | P50613 | 1/20 | 0.49 |
| ▸ | CCNH | P51946 | 1/20 | 0.49 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.49 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL22967727 | 0.96 | KRAS (0.73) | KRASVHLCDK7CCNHMNAT1 | |
| Trifluoroacetic Acid SCHEMBL28538146 | 0.91 | KRAS (0.65) | KRASVHLCDK7CCNHMNAT1 | |
| Trifluoroacetic Acid SCHEMBL28533601 | 0.90 | KRAS (0.65) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL28528025 | 0.90 | KRAS (0.61) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL22967724 | 0.89 | KRAS (0.75) | KRASSOS1 | |
| SCHEMBL23282062 | 0.88 | KRAS (0.73) | KRASSOS1 | |
| SCHEMBL22967714 | 0.88 | KRAS (0.73) | KRASSOS1 | |
| SCHEMBL22720030 | 0.88 | KRAS (0.74) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL22720032 | 0.88 | KRAS (0.74) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL22967906 | 0.88 | KRAS (0.64) | KRASSOS1 |
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-112442029-A | Tetrahydropyrido [3,4-d ] pyrimidine derivative and application thereof in medicine | 四川海思科制药有限公司 | 2021-03-05 | — | — | CN | disclosed |