Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.32 |
| ▸ | GABRD | O14764 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.32 |
| ▸ | GABRE | P78334 | 2/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.32 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27441516 | 0.86 | ALDH1A1 (0.42) | ALDH1A1CES1CA1CYP3A4 | |
| SCHEMBL17921857 | 0.85 | CES1 (0.52) | ALDH1A1CES1CA1CYP3A4BBOX1 | |
| SCHEMBL17920804 | 0.85 | CES1 (0.52) | ALDH1A1CES1CA1CYP3A4BBOX1 | |
| Water SCHEMBL16895243 | 0.81 | — | — | |
| SCHEMBL12077143 | 0.81 | CA1 (0.59) | ALDH1A1CES1CA1BBOX1GABRP | |
| SCHEMBL17211862 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CA1CYP3A4BBOX1GABRP | |
| SCHEMBL7846707 | 0.79 | CA1 (0.56) | ALDH1A1CES1CA1BBOX1GABRP | |
| SCHEMBL11346087 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CA1CYP3A4GABRPGABRD | |
| SCHEMBL8620882 | 0.78 | — | — | |
| SCHEMBL1224538 | 0.78 | — | — |
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-106824236-A | Caesium or the hydroxyapatite catalyst of calcic of potassium doping and its preparation method and application | 西华师范大学 | 2017-06-13 | — | — | CN | disclosed |