Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL241542 | 0.85 | ALDH1A1 (0.40) | ALDH1A1HSD17B10HIF1ACYP1B1KDM4E | |
| SCHEMBL29456717 | 0.85 | ALDH1A1 (0.40) | ALDH1A1HSD17B10HIF1ACYP1B1KDM4E | |
| SCHEMBL26644469 | 0.81 | LMNA (0.47) | ALDH1A1HIF1AKDM4EGAAMEN1 | |
| SCHEMBL30678718 | 0.70 | ALDH1A1 (0.46) | ALDH1A1HSD17B10KDM4EGAAMEN1 | |
| SCHEMBL30633817 | 0.70 | CCR1 (0.58) | ALDH1A1HSD17B10HIF1ACYP1B1KDM4E | |
| SCHEMBL31389329 | 0.69 | ALDH1A1 (0.47) | ALDH1A1HSD17B10HIF1ACYP1B1KDM4E | |
| SCHEMBL474149 | 0.69 | ALDH1A1 (0.46) | ALDH1A1HSD17B10HIF1ACYP1B1KDM4E | |
| SCHEMBL5083299 | 0.68 | ALDH1A1 (0.45) | ALDH1A1HSD17B10HIF1ACYP1B1KDM4E | |
| SCHEMBL4651081 | 0.68 | ALDH1A1 (0.45) | ALDH1A1HSD17B10HIF1ACYP1B1KDM4E | |
| SCHEMBL31619715 | 0.68 | ALDH1A1 (0.45) | ALDH1A1HSD17B10HIF1ACYP1B1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023217201-A2 | NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF | 杭州德睿智药科技有限公司 | 2023-11-16 | — | — | WO | disclosed |