Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.46 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.46 |
| ▸ | ITGAL | P20701 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | ADK | P55263 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL27793706 | 0.92 | ALDH1A1 (0.39) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL7260953 | 0.89 | AHR (0.59) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Quinoline SCHEMBL28862645 | 0.86 | ALDH1A1 (0.52) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Quinoline SCHEMBL28292512 | 0.85 | ALDH1A1 (0.63) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Quinoline SCHEMBL28816675 | 0.85 | ALDH1A1 (0.63) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Quinoline SCHEMBL843861 | 0.85 | ALDH1A1 (0.63) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Quinoline SCHEMBL28073739 | 0.85 | ALDH1A1 (0.63) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Quinoline SCHEMBL27296262 | 0.85 | ALDH1A1 (0.63) | ALDH1A1NR4A2NPC1RAB9APOLB | |
| Quinoline SCHEMBL28231339 | 0.84 | ALDH1A1 (0.61) | ALDH1A1NR4A2NPC1RAB9APOLB | |
| Quinoline SCHEMBL27739225 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TRPA1CA1CA2ITGB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102712661-A | Method for producing perfluoroalkyl cyanoborates or perfluoroalkyl cyanofluoroborates | MERCK PATENT GMBH | 2012-10-03 | — | — | CN | claimed |
| CN-102712661-B | Prepare the method for perfluoroalkyl cyano group borate or perfluoroalkyl cyano group fluoroborate | MERCK PATENT GMBH (DE) | 2016-02-17 | — | — | CN | disclosed |
| CN-102712661-A | Method for producing perfluoroalkyl cyanoborates or perfluoroalkyl cyanofluoroborates | MERCK PATENT GMBH | 2012-10-03 | — | — | CN | disclosed |