Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | KRAS | P01116 | 17/20 | 0.38 |
| ▸ | VHL | P40337 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22720500 | 1.00 | IDH1 (0.41) | IDH1KRASVHLCDK7CCNH | |
| SCHEMBL28645444 | 0.93 | IDH1 (0.41) | IDH1KRASVHLCDK7CCNH | |
| SCHEMBL28645449 | 0.93 | IDH1 (0.41) | IDH1KRASVHLCDK7CCNH | |
| SCHEMBL19636886 | 0.88 | IDH1 (0.41) | IDH1KRASVHLCDK7CCNH | |
| SCHEMBL19617263 | 0.88 | IDH1 (0.41) | IDH1KRASVHLCDK7CCNH | |
| SCHEMBL29888410 | 0.87 | IDH1 (0.41) | IDH1KRASVHLCDK7CCNH | |
| SCHEMBL28500547 | 0.87 | IDH1 (0.41) | IDH1KRASVHLCDK7CCNH | |
| SCHEMBL19948383 | 0.87 | IDH1 (0.41) | IDH1KRASVHLCDK7CCNH | |
| SCHEMBL30188801 | 0.85 | IDH1 (0.40) | IDH1KRASVHLCDK7CCNH | |
| SCHEMBL26865857 | 0.85 | IDH1 (0.40) | IDH1KRASVHLCDK7CCNH |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118745176-A | Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-10-08 | — | — | CN | disclosed |
| CN-118745177-A | Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-10-08 | — | — | CN | disclosed |
| CN-113423703-B | Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-08-02 | — | — | CN | disclosed |
| CN-113423703-A | Nitrogen-containing heterocyclic derivative regulator, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-09-21 | — | — | CN | disclosed |
| WO-2020239077-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2020-12-03 | — | — | WO | disclosed |