Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 1.00 |
| ▸ | HPGD | P15428 | 6/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | TNKS2 | Q9H2K2 | 8/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TNKS | O95271 | 2/20 | 0.49 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.49 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15648835 | 0.74 | ALDH1A1 (1.00) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL6124102 | 0.74 | ALDH1A1 (0.58) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL31338441 | 0.73 | ALDH1A1 (0.69) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL29913499 | 0.73 | TNKS2 (1.00) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL5248973 | 0.73 | TNKS2 (1.00) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL30996132 | 0.72 | TNKS2 (0.65) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL28618547 | 0.71 | KDM4E (0.55) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL15616339 | 0.71 | ALDH1A1 (0.68) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL16339427 | 0.70 | KDM4E (0.53) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL1708833 | 0.70 | TNKS2 (0.57) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113354556-A | C3Chiral ligand H3L with symmetry amide bond, preparation method and application | 合肥工业大学 | 2021-09-07 | — | — | CN | disclosed |