Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 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 | |
|---|---|---|---|---|
| Acetic Acid Isobutyl Ester SCHEMBL4975640 | 0.91 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRSOAT1 | |
| SCHEMBL304127 | 0.89 | ALDH1A1 (0.65) | ALDH1A1LMNAHSD17B10TSHRSOAT1 | |
| Acetic Acid Isobutyl Ester SCHEMBL8996862 | 0.87 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRSOAT1 | |
| Acetic Acid Isobutyl Ester SCHEMBL22678 | 0.86 | — | — | |
| Acetic Acid Isobutyl Ester SCHEMBL27572527 | 0.86 | TSHR (0.58) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| Acetic Acid Isobutyl Ester SCHEMBL5698773 | 0.84 | ALDH1A1 (0.52) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| Acetic Acid Isobutyl Ester SCHEMBL4494304 | 0.84 | TSHR (0.52) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| Acetic Acid Isobutyl Ester SCHEMBL18229923 | 0.84 | — | — | |
| Acetic Acid Isobutyl Ester SCHEMBL21641877 | 0.84 | — | — | |
| Acetic Acid Isobutyl Ester SCHEMBL28806927 | 0.84 | — | — |
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-108884209-A | Polymerizable composition for optical material, optical material obtained from the composition, and plastic lens | 三井化学株式会社 | 2018-11-23 | — | — | CN | disclosed |