Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28938664 | 1.00 | ALDH1A1 (0.52) | ALDH1A1HPGDCYP1A2MEN1KMT2A | |
| SCHEMBL28726342 | 0.83 | MEN1 (0.57) | ALDH1A1HPGDCYP1A2MEN1KMT2A | |
| SCHEMBL28527168 | 0.81 | CYP1A2 (0.80) | ALDH1A1HPGDCYP1A2MEN1KMT2A | |
| SCHEMBL28726436 | 0.80 | ALDH1A1 (0.58) | ALDH1A1HPGDCYP1A2KDM4ELMNA | |
| SCHEMBL29465901 | 0.80 | ALDH1A1 (0.58) | ALDH1A1HPGDCYP1A2KDM4ELMNA | |
| SCHEMBL28519888 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP1A2MEN1KMT2A | |
| SCHEMBL28528816 | 0.80 | MEN1 (0.54) | ALDH1A1HPGDCYP1A2MEN1KMT2A | |
| SCHEMBL28530430 | 0.80 | MEN1 (0.54) | ALDH1A1HPGDCYP1A2MEN1KMT2A | |
| SCHEMBL28238284 | 0.80 | MEN1 (0.77) | ALDH1A1HPGDCYP1A2MEN1KMT2A | |
| SCHEMBL28238192 | 0.80 | CYP1A2 (0.55) | ALDH1A1HPGDCYP1A2MEN1KMT2A |
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-109438427-B | Thioether-containing triazole Schiff base myricetin derivative, and preparation method and application thereof | 贵州大学 | 2022-03-29 | — | — | CN | disclosed |