Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL19010882 | 0.67 | HSD11B1 (0.37) | — | |
| SCHEMBL911206 | 0.63 | MAPK1 (0.44) | ALDH1A1TP53ALOX15MAPK1SMN1; SMN2 | |
| SCHEMBL911204 | 0.63 | MAPK1 (0.44) | ALDH1A1TP53ALOX15MAPK1SMN1; SMN2 | |
| SCHEMBL350106 | 0.63 | MAPK1 (0.44) | ALDH1A1TP53ALOX15MAPK1SMN1; SMN2 | |
| SCHEMBL11260869 | 0.61 | APLNR (0.41) | ALDH1A1TP53ALOX15MAPK1SMN1; SMN2 | |
| SCHEMBL3385056 | 0.61 | APLNR (0.41) | ALDH1A1TP53ALOX15MAPK1SMN1; SMN2 | |
| SCHEMBL5246594 | 0.61 | APLNR (0.41) | ALDH1A1TP53ALOX15MAPK1SMN1; SMN2 | |
| SCHEMBL3140773 | 0.61 | — | — | |
| SCHEMBL636829 | 0.61 | — | — | |
| SCHEMBL10886237 | 0.57 | — | — |
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-113149968-B | Compound serving as ketohexokinase inhibitor and application thereof | 博济医药科技股份有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-113149968-A | Compound serving as ketohexokinase inhibitor and application thereof | 广州博济医药生物技术股份有限公司 | 2021-07-23 | — | — | CN | disclosed |