Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 2/20 | 0.35 |
| ▸ | CDK8 | P49336 | 2/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.35 |
| ▸ | CDK19 | Q9BWU1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28344842 | 0.80 | CA12 (0.43) | DPP4TTRHSD17B1HSD17B2CA12 | |
| SCHEMBL22876759 | 0.73 | DPP4 (0.43) | DPP4TTRHSD17B1HSD17B2CA12 | |
| SCHEMBL28833746 | 0.72 | CA12 (0.46) | DPP4TTRHSD17B1HSD17B2CA12 | |
| SCHEMBL26750819 | 0.72 | AKR1B10 (0.49) | FDPSESR1MAOBMAPT | |
| SCHEMBL28541644 | 0.71 | CA12 (0.39) | DPP4TTRHSD17B1HSD17B2CA12 | |
| SCHEMBL26750852 | 0.70 | CYP3A4 (0.51) | DPP4TTRCA12CA1CA2 | |
| SCHEMBL18260176 | 0.70 | CA12 (0.51) | DPP4TTRHSD17B1HSD17B2CA12 | |
| SCHEMBL28656322 | 0.68 | CA12 (0.39) | DPP4TTRCA12CA1CA2 | |
| SCHEMBL26750865 | 0.68 | TTR (0.53) | DPP4TTRCA12CA1CA2 | |
| SCHEMBL31141662 | 0.67 | TTR (0.46) | DPP4TTRHSD17B1HSD17B2CA12 |
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 |