Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL7755177 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| Methyl Alcohol SCHEMBL7755686 | 0.82 | CYP3A4 (0.31) | — | |
| Methyl Alcohol SCHEMBL7756473 | 0.82 | CYP3A4 (0.31) | — | |
| Methyl Alcohol SCHEMBL7839953 | 0.82 | CYP3A4 (0.31) | — | |
| Propionic Acid SCHEMBL7756468 | 0.79 | FFAR3 (0.36) | — | |
| Propionic Acid SCHEMBL7756457 | 0.79 | FFAR3 (0.36) | — | |
| SCHEMBL13935223 | 0.75 | — | — | |
| SCHEMBL7811925 | 0.69 | CYP3A4 (0.33) | — | |
| SCHEMBL2130847 | 0.68 | FFAR3 (0.34) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2130858 | 0.68 | FFAR3 (0.34) | NPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001224396-A | METHOD FOR PRODUCING OPTICALLY ACTIVE 1,2-EPOXY-2,6,6- TRIMETHYLCYCLOHEXANE METHANOL | KURARAY CO LTD | 2001-08-21 | — | — | JP | disclosed |