Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30267541 | 1.00 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1KMT2AMAPTMEN1 | |
| SCHEMBL28424384 | 0.93 | ALDH1A1 (0.54) | HSP90AA1HSP90AB1KMT2AMAPTMEN1 | |
| SCHEMBL22291704 | 0.84 | CYP1A2 (0.56) | HSP90AA1HSP90AB1KMT2AMAPTMEN1 | |
| SCHEMBL2068058 | 0.83 | PTPN22 (0.52) | HSP90AA1HSP90AB1KMT2AMAPTMEN1 | |
| SCHEMBL28454728 | 0.83 | ALDH1A1 (0.52) | KMT2AMAPTMEN1ALDH1A1TDP1 | |
| SCHEMBL29364830 | 0.83 | PTPN22 (0.52) | HSP90AA1HSP90AB1KMT2AMAPTMEN1 | |
| SCHEMBL1305457 | 0.83 | KDM4E (0.50) | KMT2AMAPTMEN1ALDH1A1TDP1 | |
| SCHEMBL30267558 | 0.81 | THRB (0.45) | HSP90AA1HSP90AB1KMT2AMAPTMEN1 | |
| SCHEMBL28432478 | 0.81 | THRB (0.45) | HSP90AA1HSP90AB1KMT2AMAPTMEN1 | |
| SCHEMBL28425968 | 0.77 | ESR2 (0.52) | HSP90AA1HSP90AB1KMT2AMAPTMEN1 |
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-111423332-B | Method for splitting chiral compound | 上海科技大学 | 2023-02-10 | — | — | CN | disclosed |
| CN-111423332-A | Method for splitting chiral compound | 上海科技大学 | 2020-07-17 | — | — | CN | disclosed |