Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | CASP7 | P55210 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25076798 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL29213844 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL26724502 | 0.97 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL29213848 | 0.97 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL25077023 | 0.97 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL25077043 | 0.95 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL25076567 | 0.95 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| SCHEMBL29213767 | 0.95 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| Maleic Acid SCHEMBL29213825 | 0.93 | ALDH1A1 (0.42) | ALDH1A1KDM4EGAAHPGDCASP1 | |
| Maleic Acid SCHEMBL29213822 | 0.93 | ALDH1A1 (0.42) | ALDH1A1KDM4EGAAHPGDCASP1 |
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-2023020566-A1 | BENZO NITROGEN-CONTAINING HETEROAROMATIC RING DERIVATIVE AND USE THEREOF IN MEDICINE | 四川海思科制药有限公司 | 2023-02-23 | — | — | WO | disclosed |