Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.41 |
| ▸ | GAPDH | P04406 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| 3-Heptanol SCHEMBL26280 | 0.87 | — | — | |
| 3-Heptanol SCHEMBL7527598 | 0.87 | — | — | |
| 3-Heptanol SCHEMBL12399 | 0.87 | — | — | |
| 3-Heptanol SCHEMBL28846706 | 0.85 | — | — | |
| 3-Heptanol SCHEMBL28134019 | 0.85 | — | — | |
| 3-Heptanol SCHEMBL31475518 | 0.85 | — | — | |
| 3-Heptanol SCHEMBL28178814 | 0.85 | — | — | |
| 3-Heptanol SCHEMBL27989023 | 0.85 | — | — | |
| 3-Heptanol SCHEMBL1876332 | 0.85 | ALDH1A1 (0.46) | TSHRSMN1; SMN2GPR84CA2MAPK1 | |
| 3-Heptanol SCHEMBL27383700 | 0.85 | — | — |
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-111574327-A | Process for the preparation of 3-heptanol from a mixture comprising 2-ethylhexanol and 3-heptanoate formate | 巴斯夫欧洲公司 | 2020-08-25 | — | — | CN | disclosed |