Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 SCHEMBL2790499 | 0.97 | ALDH1A1 (0.60) | ALDH1A1TSHRTHRBCES2CES1 | |
| Pentane SCHEMBL26986723 | 0.90 | — | — | |
| Dodecane SCHEMBL28302235 | 0.87 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBCES2CES1 | |
| Nitromethane SCHEMBL6387542 | 0.87 | ALDH1A1 (0.52) | ALDH1A1TSHRTHRBCES2CES1 | |
| Nonane SCHEMBL27883833 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRTHRBCES2CES1 | |
| Hexadecane SCHEMBL380459 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRTHRBCES2CES1 | |
| Heptane SCHEMBL27401561 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRTHRBCES2CES1 | |
| Octane SCHEMBL8954452 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRTHRBCES2CES1 | |
| Octane SCHEMBL9793297 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRTHRBCES2CES1 | |
| Nitric Acid SCHEMBL27389558 | 0.84 | ALDH1A1 (0.62) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5716458-A | CLEANING BY VAPORIZATION, CONDENSATION OF AN AZEOTROPIC LIQUID MIXTURE; HALOGEN-FREE | NIKON CORPORATION (JP) | 1998-02-10 | — | — | US | disclosed |