Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 1.00 |
| ▸ | CA7 | P43166 | 6/20 | 1.00 |
| ▸ | CA9 | Q16790 | 6/20 | 1.00 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 1.00 |
| ▸ | CA1 | P00915 | 5/20 | 1.00 |
| ▸ | CA2 | P00918 | 4/20 | 1.00 |
| ▸ | TYR | P14679 | 3/20 | 1.00 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.67 |
| ▸ | AKR1B10 | O60218 | 4/20 | 0.66 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.66 |
| ▸ | TTR | P02766 | 1/20 | 0.66 |
| ▸ | APP | P05067 | 1/20 | 0.66 |
| ▸ | MAOB | P27338 | 1/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.62 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.62 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.62 |
| ▸ | MMP2 | P08253 | 2/20 | 0.62 |
| ▸ | MMP9 | P14780 | 2/20 | 0.62 |
| ▸ | MMP13 | P45452 | 1/20 | 0.62 |
| ▸ | ESR1 | P03372 | 2/20 | 0.61 |
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 P-Hydroxycinnamate SCHEMBL895938 | 1.00 | CA12 (1.00) | CA12CA7CA9CA14CA1 | |
| Methyl P-Hydroxycinnamate SCHEMBL28386655 | 1.00 | CA12 (1.00) | CA12CA7CA9CA14CA1 | |
| Methyl P-Hydroxycinnamate SCHEMBL547438 | 1.00 | CA12 (1.00) | CA12CA7CA9CA14CA1 | |
| Methyl P-Hydroxycinnamate SCHEMBL28876782 | 0.96 | CA12 (0.93) | CA12CA7CA9CA14CA1 | |
| SCHEMBL404485 | 0.94 | CA12 (0.89) | CA12CA7CA9CA14CA1 | |
| SCHEMBL404484 | 0.94 | CA12 (0.89) | CA12CA7CA9CA14CA1 | |
| SCHEMBL71224 | 0.92 | CA12 (0.84) | CA12CA7CA9CA14CA1 | |
| SCHEMBL5057418 | 0.92 | CA12 (0.84) | CA12CA7CA9CA14CA1 | |
| SCHEMBL16024183 | 0.91 | CA12 (0.83) | CA12CA7CA9CA14CA1 | |
| SCHEMBL17061331 | 0.91 | CA12 (0.83) | CA12CA7CA9CA14CA1 |
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-112624927-B | TRPV3 inhibitor and preparation method thereof | 青岛大学 | 2023-07-21 | — | — | CN | disclosed |