Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.33 |
| ▸ | CDC25A | P30304 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL11154641 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNATHRBL3MBTL1 | |
| Heptane SCHEMBL25303431 | 0.97 | ALDH1A1 (0.47) | ALDH1A1TSHRLMNATHRBL3MBTL1 | |
| Heptane SCHEMBL4434566 | 0.97 | ALDH1A1 (0.47) | ALDH1A1TSHRLMNATHRBL3MBTL1 | |
| Pentane SCHEMBL28173738 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATHRBL3MBTL1 | |
| Hexane SCHEMBL5237862 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATHRBL3MBTL1 | |
| Hexane SCHEMBL22134480 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATHRBL3MBTL1 | |
| Hexane SCHEMBL14895621 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATHRBL3MBTL1 | |
| Hexane SCHEMBL224276 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATHRBL3MBTL1 | |
| Pentane SCHEMBL6826840 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATHRBL3MBTL1 | |
| Cyclohexane SCHEMBL7993995 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATHRBL3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107207518-A | The technique for producing condensed imidazole derivatives | 诺华股份有限公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-103250469-B | Salt modified inherently electrostatic dissipative polymers | 路博润高级材料公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-103547629-B | Static dissipative polycarbonate compositions | 路博润高级材料公司 | 2016-09-07 | — | — | CN | disclosed |