Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL27610053 | 0.83 | ALDH1A1 (0.58) | ALDH1A1GAAHSD17B10LMNAMAPT | |
| Ethyl Acetate SCHEMBL27987426 | 0.83 | ALDH1A1 (0.51) | ALDH1A1GAAL3MBTL1NLRP3HSD17B10 | |
| Ethyl Acetate SCHEMBL28193812 | 0.81 | ALDH1A1 (0.50) | ALDH1A1GAAL3MBTL1NLRP3HSD17B10 | |
| Benzonitrile SCHEMBL27318391 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GAAL3MBTL1NLRP3HSD17B10 | |
| Benzonitrile SCHEMBL27718345 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GAAL3MBTL1NLRP3HSD17B10 | |
| Butyric Acid SCHEMBL28208180 | 0.76 | FFAR1 (0.48) | ALDH1A1GAAL3MBTL1TSHR | |
| Ethyl Acetate SCHEMBL30203103 | 0.76 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1HSD17B10LMNAMAPT | |
| SCHEMBL30201156 | 0.75 | — | — | |
| SCHEMBL136719 | 0.75 | — | — | |
| Water SCHEMBL27994831 | 0.75 | TSHR (0.50) | ALDH1A1GAAHSD17B10LMNAKDM4E |
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-107602415-A | A kind of method of Fe (III) porphyrin catalysis nitrite-oxidizing aromatic olefin One-step Synthesis aromatic nitriles | 沅江华龙催化科技有限公司 | 2018-01-19 | — | — | CN | disclosed |
| CN-107573259-A | A kind of method of catalysis of metalloporphyrin aromatic olefin synthesis aromatic nitriles | 沅江华龙催化科技有限公司 | 2018-01-12 | — | — | CN | disclosed |