Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ESRRB | O95718 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.33 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Methyl 2-Methylbutanoate SCHEMBL8954886 | 0.91 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL1869834 | 0.91 | CA1 (0.46) | CA1CA2HSD17B10ESRRBSMN1; SMN2 | |
| Methyl 2-Methylbutanoate SCHEMBL283261 | 0.91 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL108113 | 0.91 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL23358383 | 0.88 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL27502998 | 0.88 | CA1 (0.45) | CA1CA2HSD17B10ESRRBSMN1; SMN2 | |
| Methyl 2-Methylbutanoate SCHEMBL27352651 | 0.88 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL28123513 | 0.88 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL28264726 | 0.86 | CA1 (0.43) | CA1CA2HSD17B10ESRRBSMN1; SMN2 | |
| Methyl 2-Methylbutanoate SCHEMBL27518909 | 0.86 | CA1 (0.43) | CA1CA2HSD17B10SMN1; SMN2CA14 |
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-2004315458-A | METHOD FOR REFINING EPISULFIDE COMPOSITION | MITSUI CHEMICALS INC | 2004-11-11 | — | — | JP | disclosed |