Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.70 |
| ▸ | CA2 | P00918 | 1/20 | 0.70 |
| ▸ | CA3 | P07451 | 1/20 | 0.70 |
| ▸ | CA6 | P23280 | 1/20 | 0.70 |
| ▸ | CA9 | Q16790 | 1/20 | 0.70 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.70 |
| ▸ | MMP3 | P08254 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | TACR2 | P21452 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| 4-Cyanophenol SCHEMBL28833503 | 0.91 | CA12 (0.76) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL28091112 | 0.86 | CA12 (0.76) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL28175082 | 0.84 | CA2 (0.89) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL28811803 | 0.83 | CA2 (1.00) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL50814 | 0.83 | — | — | |
| 4-Cyanophenol SCHEMBL27294505 | 0.83 | CA2 (1.00) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL27659530 | 0.81 | CA2 (0.84) | CA12CA2CA3CA6CA9 | |
| Octanoic Acid SCHEMBL27269167 | 0.81 | GPR84 (0.53) | HSD17B10TSHRESR1ALDH1A1HSD17B3 | |
| 4-Cyanophenol SCHEMBL7393582 | 0.81 | CA2 (0.94) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL27413520 | 0.81 | CA2 (0.94) | CA12CA2CA3CA6CA9 |
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-213147047-U | Cooling device for preparing p-hydroxybenzonitrile | 湖北源洹实业投资有限公司 | 2021-05-07 | — | — | CN | disclosed |