Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | KDM5A | P29375 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13407601 | 0.89 | CA12 (0.36) | ALDH1A1CA12CA1CA9LMNA | |
| SCHEMBL3431091 | 0.86 | MAPT (0.32) | ALDH1A1SMN1; SMN2HPGDMAPK1KDM4E | |
| SCHEMBL10170642 | 0.86 | CYP1A2 (0.34) | ALDH1A1SMN1; SMN2CA12CA9HSD17B10 | |
| SCHEMBL7168637 | 0.86 | MAPT (0.38) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL25374575 | 0.85 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2CA12CA1CA9 | |
| SCHEMBL13407604 | 0.84 | CA12 (0.33) | CA12CA1CA9KDM4EMAPT | |
| Trolamine SCHEMBL11973736 | 0.81 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CA12CA1CA9 | |
| SCHEMBL43801 | 0.81 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CA12CA1CA9 | |
| SCHEMBL20629 | 0.81 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CA12CA1CA9 | |
| SCHEMBL3424406 | 0.81 | KDM4E (0.30) | ALDH1A1SMN1; SMN2HPGDMAPK1KDM4E |
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-2023125944-A1 | COMPOUND CONTAINING HETEROCYCLIC RING | 正大天晴药业集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |