Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.52 |
| ▸ | GABRB1 | P18505 | 5/20 | 0.41 |
| ▸ | FABP3 | P05413 | 2/20 | 0.38 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.37 |
| ▸ | GSR | P00390 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL94533 | 0.79 | GABRA1 (0.77) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL15064751 | 0.77 | GABRA1 (0.68) | CA1CA2GABRA1GABRB2GABRB1 | |
| Ammonia Solution, Strong SCHEMBL28098766 | 0.77 | GABRA1 (0.74) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL9229754 | 0.76 | CA1 (0.64) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL19621818 | 0.75 | CA1 (0.77) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL3440745 | 0.74 | GABRA1 (0.50) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL19972010 | 0.74 | GABRA1 (0.63) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL26521897 | 0.74 | GABRA1 (0.63) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL275427 | 0.72 | CA1 (1.00) | CA1CA2GABRA1GABRB2GABRB1 | |
| SCHEMBL20432611 | 0.70 | GABRA1 (0.47) | CA1CA2GABRA1GABRB2GABRB1 |
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-104557532-B | Bigeminy benzene derivative and its application | 西安力邦制药有限公司 | 2017-03-01 | — | — | CN | disclosed |