Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28898354 | 0.97 | ALDH1A1 (0.46) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL6016108 | 0.87 | ALDH1A1 (0.46) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Alcohol SCHEMBL28563139 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL27943953 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Ethane SCHEMBL29266735 | 0.83 | ALDH1A1 (0.57) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL7638 | 0.83 | ALDH1A1 (0.63) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL29405187 | 0.83 | ALDH1A1 (0.63) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL473080 | 0.83 | ALDH1A1 (0.63) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| Hexane SCHEMBL10533800 | 0.82 | ALDH1A1 (0.46) | ALDH1A1TSHRLMNATHRBTDP1 | |
| SCHEMBL982307 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TSHR |
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-105823754-A | Gas detection method and apparatus | 中国石油化工股份有限公司 | 2016-08-03 | — | — | CN | disclosed |