Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TYMS | P04818 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL28424384 | 0.90 | ALDH1A1 (0.54) | ALDH1A1CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL30267541 | 0.83 | HSP90AA1 (0.53) | ALDH1A1MEN1MAPTKMT2ATHRB | |
| SCHEMBL28430312 | 0.83 | HSP90AA1 (0.53) | ALDH1A1MEN1MAPTKMT2ATHRB | |
| SCHEMBL13251165 | 0.82 | CYP1A2 (0.48) | ALDH1A1MEN1MAPTKMT2ACYP1A2 | |
| SCHEMBL29032162 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL15708180 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL19382614 | 0.80 | CYP1A2 (0.61) | ALDH1A1MEN1MAPTKMT2ACYP1A2 | |
| SCHEMBL29792825 | 0.78 | CYP1A2 (0.55) | ALDH1A1CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL249717 | 0.78 | CYP1A2 (0.55) | ALDH1A1CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL20274127 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MEN1MAPTKMT2A |
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-111517964-B | Method for splitting chiral compound | 上海科技大学 | 2023-02-10 | — | — | CN | disclosed |
| CN-111517964-A | Method for splitting chiral compound | 上海科技大学 | 2020-08-11 | — | — | CN | disclosed |