Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 8/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL78211 | 0.91 | CA1 (0.43) | CA1CA2CA4CES2CES1 | |
| SCHEMBL5510282 | 0.79 | CA1 (0.40) | CA1CA2CA4CES2CES1 | |
| Cyanide SCHEMBL27561413 | 0.78 | CA1 (0.38) | CA1CA2CA4CES2CES1 | |
| SCHEMBL515819 | 0.77 | CES2 (0.36) | CA1CA2CA4CES2CES1 | |
| SCHEMBL11589756 | 0.74 | HSD17B1 (0.39) | CA1CA2CA4CES2CES1 | |
| SCHEMBL31150397 | 0.74 | HSD17B1 (0.39) | CA1CA2CA4CES2CES1 | |
| SCHEMBL12459470 | 0.74 | CA1 (0.37) | CA1CA2CA4CES2CES1 | |
| Phenol SCHEMBL21753938 | 0.74 | CA12 (0.52) | CA1CA2CA4CA12HSD17B1 | |
| SCHEMBL26690821 | 0.74 | TRPV4 (0.45) | CES2CES1HSD17B1HSD17B2 | |
| Cyanide SCHEMBL28093856 | 0.74 | — | — |
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-105523962-A | Fluorobenzonitrile compound preparation method | DALIAN QIKAI MEDICAL TECH CO LTD | 2016-04-27 | — | — | CN | disclosed |