Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.58 |
| ▸ | CA1 | P00915 | 6/20 | 0.58 |
| ▸ | CA2 | P00918 | 6/20 | 0.58 |
| ▸ | CA7 | P43166 | 6/20 | 0.58 |
| ▸ | CA9 | Q16790 | 6/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.49 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16606258 | 0.81 | CA12 (0.75) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3114077 | 0.79 | JMJD6 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1179763 | 0.78 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9649064 | 0.78 | KDM4E (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1179146 | 0.77 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9330082 | 0.76 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23309542 | 0.75 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23309647 | 0.75 | KMT2A (0.47) | MEN1KMT2AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL5839605 | 0.74 | CA12 (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23066461 | 0.74 | CA12 (0.92) | CA12CA1CA2CA7CA9 |
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-110818629-A | Method for synthesizing fluoroisonicotinic acid derivative | 杭州勇诚睿生物科技有限公司 | 2020-02-21 | — | — | CN | claimed |
| CN-110818629-A | Method for synthesizing fluoroisonicotinic acid derivative | 杭州勇诚睿生物科技有限公司 | 2020-02-21 | — | — | CN | disclosed |