Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 2/20 | 0.35 |
| ▸ | CDK8 | P49336 | 2/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8342115 | 0.79 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28344842 | 0.74 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28833725 | 0.72 | DPP4 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26750819 | 0.72 | AKR1B10 (0.49) | FDPSESR1MAOBALDH1A1MAPT | |
| SCHEMBL10783189 | 0.69 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1641559 | 0.69 | L3MBTL1 (0.68) | ALDH1A1MAPTL3MBTL1POLB | |
| SCHEMBL64694 | 0.69 | L3MBTL1 (0.68) | ALDH1A1MAPTL3MBTL1POLB | |
| SCHEMBL10939791 | 0.69 | CA12 (0.86) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5059085 | 0.69 | CA12 (0.86) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13957401 | 0.69 | CA12 (0.86) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110194770-B | Peptidyl arginine deiminase inhibitors and uses thereof | 药捷安康(南京)科技股份有限公司 | 2022-08-09 | — | — | CN | disclosed |