Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | PPM1B | O75688 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL880078 | 0.93 | ALDH1A1 (0.42) | EPHX2ALDH1A1ATMHPGDTSHR | |
| SCHEMBL3601648 | 0.83 | ALDH1A1 (0.49) | ALDH1A1PPM1BPTPN1PPP1CCCYP3A4 | |
| SCHEMBL187699 | 0.83 | ALDH1A1 (0.48) | EPHX2ALDH1A1ATMHPGDTSHR | |
| SCHEMBL8694308 | 0.83 | EPHX2 (0.49) | EPHX2ALDH1A1ATMHPGDTSHR | |
| SCHEMBL552606 | 0.82 | ALDH1A1 (0.52) | EPHX2ALDH1A1ATMHPGDTSHR | |
| SCHEMBL526157 | 0.82 | ALDH1A1 (0.52) | EPHX2ALDH1A1ATMHPGDTSHR | |
| SCHEMBL812979 | 0.82 | ALDH1A1 (0.52) | EPHX2ALDH1A1ATMHPGDTSHR | |
| SCHEMBL813357 | 0.82 | ALDH1A1 (0.52) | EPHX2ALDH1A1ATMHPGDTSHR | |
| SCHEMBL453054 | 0.81 | ALDH1A1 (0.50) | EPHX2ALDH1A1ATMHPGDTSHR | |
| SCHEMBL8633605 | 0.81 | ALDH1A1 (0.50) | EPHX2ALDH1A1ATMHPGDTSHR |
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-2023016518-A1 | HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2023-02-16 | — | — | WO | disclosed |