Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 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 | |
|---|---|---|---|---|
| SCHEMBL3889299 | 0.83 | GABRA1 (0.50) | ACE2GABRA1GABRG2GABRB3LMNA | |
| SCHEMBL487534 | 0.81 | GABRA1 (0.57) | ACE2GABRA1GABRG2GABRB3LMNA | |
| SCHEMBL9063441 | 0.80 | ACE2 (0.34) | ACE2GABRA1GABRG2GABRB3LMNA | |
| SCHEMBL22013194 | 0.80 | AOC1 (0.32) | ACE2GABRA1GABRG2GABRB3LMNA | |
| Hydrogen Peroxide SCHEMBL10512587 | 0.79 | GABRA1 (0.55) | ACE2GABRA1GABRG2GABRB3LMNA | |
| SCHEMBL3250855 | 0.78 | GABRA1 (0.30) | ACE2GABRA1GABRG2GABRB3 | |
| SCHEMBL11554595 | 0.78 | SMN1; SMN2 (0.31) | ACE2GABRA1GABRG2GABRB3HSP90AB1 | |
| SCHEMBL1292825 | 0.78 | GABRA1 (0.41) | GABRA1GABRG2GABRB3LMNASLC6A2 | |
| SCHEMBL840511 | 0.76 | ACE2 (0.36) | ACE2GABRA1GABRG2GABRB3CA1 | |
| SCHEMBL3249692 | 0.74 | ACE2 (0.31) | ACE2 |
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-107428636-A | 1,3 butadiene are manufactured by oxidative dehydrogenation by n-butene | 巴斯夫欧洲公司 | 2017-12-01 | — | — | CN | disclosed |