Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 5/20 | 0.45 |
| ▸ | CES1 | P23141 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Octane SCHEMBL8655397 | 0.97 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBCES2CES1 | |
| Pentane SCHEMBL26986723 | 0.93 | — | — | |
| Nitromethane SCHEMBL6387542 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TSHRTHRBCES2CES1 | |
| Dodecane SCHEMBL28302235 | 0.83 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBCES2CES1 | |
| Hexane SCHEMBL10491880 | 0.83 | ALDH1A1 (0.57) | ALDH1A1TSHRTHRBCES2CES1 | |
| Hexane SCHEMBL27687689 | 0.83 | ALDH1A1 (0.57) | ALDH1A1TSHRTHRBCES2CES1 | |
| Butyl Alcohol SCHEMBL8416584 | 0.82 | — | — | |
| Nitromethane SCHEMBL28129155 | 0.81 | — | — | |
| Hexadecane SCHEMBL380459 | 0.80 | ALDH1A1 (0.62) | ALDH1A1TSHRTHRBCES2CES1 | |
| Hexane SCHEMBL29015104 | 0.80 | ALDH1A1 (0.55) | ALDH1A1TSHRTHRBCES2CES1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108794342-A | Ammonium carboxylate salt compound, its crystal form, amorphous substance and preparation method thereof | 武汉朗来科技发展有限公司 | 2018-11-13 | — | — | CN | claimed |
| CN-108794342-A | Ammonium carboxylate salt compound, its crystal form, amorphous substance and preparation method thereof | 武汉朗来科技发展有限公司 | 2018-11-13 | — | — | CN | disclosed |
| CN-101283796-B | Health product with walnut oil as matrix for treating osteoporosis and cardiovascular and cerebrovascular diseases | MEDICAL DEV CO LTD OF KUNMING YUNNAN UNIVERSITY | 2012-05-30 | — | — | CN | disclosed |
| WO-2010137032-A2 | NOVEL POLYMORPHIC FORMS OF ELVITEGRAVIR AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS | MATRIX LABORATORIES LTD. (IN) | 2010-12-02 | — | — | WO | disclosed |
| CN-101283796-A | Health products for osteoporosis and cardio-cerebrovascular disease using walnut oil as matrix | MEDICAL DEV CO LTD (CN) | 2008-10-15 | — | — | CN | disclosed |