Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28954855 | 1.00 | ALDH1A1 (0.42) | ALDH1A1PDE2AMAPK1GABRA1GABRB1 | |
| SCHEMBL1396970 | 1.00 | ALDH1A1 (0.42) | ALDH1A1PDE2AMAPK1GABRA1GABRB1 | |
| SCHEMBL9910111 | 0.83 | PDE2A (0.55) | ALDH1A1PDE2AMAPK1GABRA1GABRB1 | |
| SCHEMBL2698362 | 0.83 | PDE2A (0.55) | ALDH1A1PDE2AMAPK1GABRA1GABRB1 | |
| SCHEMBL2502857 | 0.83 | PDE2A (0.55) | ALDH1A1PDE2AMAPK1GABRA1GABRB1 | |
| SCHEMBL30609618 | 0.83 | GABRA1 (0.46) | ALDH1A1MAPK1GABRA1GABRB1HPGD | |
| SCHEMBL3238012 | 0.83 | GABRA1 (0.46) | ALDH1A1MAPK1GABRA1GABRB1HPGD | |
| SCHEMBL22409931 | 0.81 | ALDH1A1 (0.39) | ALDH1A1MAPK1GABRA1GABRB1HPGD | |
| SCHEMBL6542407 | 0.80 | GABRA1 (0.43) | PDE2AMAPK1GABRA1GABRB1HPGD | |
| SCHEMBL1397083 | 0.79 | ALDH1A1 (0.38) | ALDH1A1MAPK1GABRA1GABRB1HPGD |
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-115151538-A | Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2022-10-04 | — | — | CN | disclosed |