Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 20/20 | 0.74 |
| ▸ | VHL | P40337 | 1/20 | 0.62 |
| ▸ | CDK7 | P50613 | 1/20 | 0.62 |
| ▸ | CCNH | P51946 | 1/20 | 0.62 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.62 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL22720032 | 1.00 | KRAS (0.74) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23275887 | 0.98 | KRAS (0.74) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23275945 | 0.95 | KRAS (0.71) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23281989 | 0.95 | KRAS (0.71) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23282000 | 0.95 | KRAS (0.71) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23281992 | 0.94 | KRAS (0.69) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23281991 | 0.94 | KRAS (0.69) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23281998 | 0.94 | KRAS (0.70) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23281985 | 0.94 | KRAS (0.70) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23282062 | 0.94 | KRAS (0.73) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020238791-A1 | HYDROPYRIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2020-12-03 | — | — | WO | disclosed |
| WO-2020238791-A1 | HYDROPYRIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2020-12-03 | — | — | WO | disclosed |