Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.33 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL3800243 | 0.83 | GABRA1 (0.42) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL28739756 | 0.82 | NPC1 (0.42) | BACE1ALOX5CYP2A6ESR2KDM4E | |
| SCHEMBL15901560 | 0.81 | BACE1 (0.44) | BACE1ALOX5CYP2A6SMARCA2SMARCA4 | |
| SCHEMBL7608202 | 0.80 | GABRA1 (0.40) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL6138312 | 0.78 | ESR2 (0.53) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL9303383 | 0.78 | PTGS1 (0.42) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL9420892 | 0.78 | CYP2A6 (0.54) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL28757167 | 0.78 | ALDH1A1 (0.48) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL1302811 | 0.76 | CYP2A6 (0.48) | GABRA5GABRA3GABRG2GABRB3BACE1 | |
| SCHEMBL7608526 | 0.76 | NPC1 (0.38) | GABRA1GABRA5GABRA2GABRB2GABRA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101948365-A | Preparation method of 1,4-diaryl-1,3-butadiyne | UNIV TONGJI | 2011-01-19 | — | — | CN | disclosed |
| US-4767797-A | Photocurable compositions of poly(ethynylphenyl)acetylene, its copolymer and composition thereof | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1988-08-30 | — | — | US | disclosed |