Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.88 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 7/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL170850 | 1.00 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL5666835 | 1.00 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL30507758 | 0.98 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL170699 | 0.98 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL8834701 | 0.98 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL30645359 | 0.98 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL23174778 | 0.96 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL5918486 | 0.96 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL11170851 | 0.96 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL18040480 | 0.96 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114096627-A | Aqueous coating film-forming composition for forming antifriction coating film, and airbag using same | 陶氏东丽株式会社 | 2022-02-25 | — | — | CN | disclosed |
| CN-114026155-A | Oil-in-water silicone emulsion composition and use thereof | 陶氏东丽株式会社 | 2022-02-08 | — | — | CN | disclosed |