Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | MMP1 | P03956 | 1/20 | 0.58 |
| ▸ | MMP2 | P08253 | 1/20 | 0.58 |
| ▸ | MMP9 | P14780 | 1/20 | 0.58 |
| ▸ | MMP8 | P22894 | 1/20 | 0.58 |
| ▸ | MMP13 | P45452 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | F2 | P00734 | 3/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.53 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.53 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 7/20 | 0.50 |
| ▸ | CA9 | Q16790 | 7/20 | 0.50 |
| ▸ | FABP3 | P05413 | 1/20 | 0.50 |
| ▸ | FABP4 | P15090 | 1/20 | 0.50 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9711971 | 0.86 | CA1 (0.56) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL9712040 | 0.84 | F2 (0.55) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL24199593 | 0.82 | CA1 (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL7633011 | 0.82 | CA1 (0.44) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL29088547 | 0.82 | CA1 (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL9786121 | 0.82 | ALDH1A1 (0.45) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL7284895 | 0.81 | F2 (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL7752280 | 0.81 | ALDH1A1 (0.44) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL989207 | 0.80 | CA1 (0.64) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL11348903 | 0.80 | CA1 (0.64) | CA1CA2MMP1MMP2MMP9 |
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-106467464-B | (E) -2-isopropyl-5-methyl-3, 5-hexadienoic acid ester compound and production method and application thereof | 信越化学工业株式会社 | 2020-12-29 | — | — | CN | disclosed |