Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22746962 | 1.00 | AURKA (0.40) | AURKAMAPK10RIPK1HSD17B10PDE4D | |
| Hydrochloric Acid SCHEMBL29071885 | 0.99 | AURKA (0.40) | AURKAMAPK10RIPK1HSD17B10PDE4D | |
| Hydrochloric Acid SCHEMBL29071888 | 0.99 | AURKA (0.40) | AURKAMAPK10RIPK1HSD17B10PDE4D | |
| SCHEMBL23513289 | 0.83 | BRD4 (0.42) | MAPTLMNAALDH1A1BRD4POLB | |
| SCHEMBL22717992 | 0.80 | HCAR2 (0.35) | HSD17B10KDM4EALDH1A1 | |
| SCHEMBL22717989 | 0.80 | HCAR2 (0.35) | HSD17B10KDM4EALDH1A1 | |
| SCHEMBL19140474 | 0.76 | KDM4E (0.45) | AURKAMAPK10RIPK1HSD17B10PDE4D | |
| SCHEMBL23513389 | 0.75 | AURKA (0.44) | AURKAMAPK10RIPK1HSD17B10PDE4D | |
| SCHEMBL30092714 | 0.75 | AURKA (0.40) | AURKAMAPK10RIPK1HSD17B10PDE4D | |
| SCHEMBL29515403 | 0.74 | SMN1; SMN2 (0.39) | AURKAMAPK10RIPK1HSD17B10PDE4D |
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-117715909-A | Condensed heterocyclic derivative | 杨森科学爱尔兰无限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-113906028-A | Fused heterocyclic derivatives | 爱尔兰詹森科学公司 | 2022-01-07 | — | — | CN | disclosed |