Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FGFR1 | P11362 | 2/20 | 0.40 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | PIM1 | P11309 | 3/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.36 |
| ▸ | GSK3B | P49841 | 4/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.36 |
| ▸ | AURKA | O14965 | 2/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | CDK1 | P06493 | 2/20 | 0.36 |
| ▸ | PRKACA | P17612 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31391737 | 1.00 | FGFR1 (0.40) | FGFR1FGFR2CTNNB1WNT3AP2RX7 | |
| SCHEMBL15541878 | 0.76 | CHEK1 (0.42) | FGFR1FGFR2CTNNB1WNT3APIM1 | |
| SCHEMBL23901368 | 0.76 | NTRK1 (0.52) | CTNNB1WNT3ANTRK1ROCK2GSK3B | |
| SCHEMBL4996798 | 0.73 | DYRK1A (0.48) | FGFR1FGFR2CTNNB1WNT3APIM1 | |
| SCHEMBL10235446 | 0.73 | TRPA1 (0.43) | FGFR1FGFR2PIM1PIM3PIM2 | |
| SCHEMBL13940969 | 0.73 | CHEK1 (0.47) | PIM1PIM3PIM2CHEK1ROCK2 | |
| SCHEMBL20627222 | 0.72 | CHEK1 (0.39) | FGFR1FGFR2PIM1PIM3PIM2 | |
| SCHEMBL31391685 | 0.72 | NTRK1 (0.40) | NTRK1DYRK1A | |
| SCHEMBL23901312 | 0.72 | NTRK1 (0.40) | NTRK1DYRK1A | |
| Hydrochloric Acid SCHEMBL7221088 | 0.71 | CHEK1 (0.46) | PIM1PIM3PIM2CHEK1ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115916771-A | Multi-target antitumor compound and preparation method and application thereof | 浙江华海药业股份有限公司 | 2023-04-04 | — | — | CN | disclosed |
| WO-2021197467-A1 | MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |