Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPSE | Q9Y251 | 2/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | NEK2 | P51955 | 1/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.39 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | HK1 | P19367 | 2/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10823633 | 0.90 | CA12 (0.42) | CHEK1CDK8NEK2LIMK1CA12 | |
| SCHEMBL10823370 | 0.88 | EP300 (0.43) | HPSECA12CA1CA2CA9 | |
| SCHEMBL10823460 | 0.88 | CA12 (0.43) | HPSECA12CA1CA2CA9 | |
| SCHEMBL10823573 | 0.86 | MCL1 (0.45) | EP300KAT2BKAT8HK1HKDC1 | |
| SCHEMBL10823487 | 0.85 | EP300 (0.46) | HPSECA12CA1CA2CA9 | |
| SCHEMBL10823437 | 0.84 | CASP6 (0.44) | CHEK1CDK8NEK2LIMK1CYP1A2 | |
| SCHEMBL10823717 | 0.84 | MEN1 (0.49) | HPSECA12CA1CA2CA9 | |
| SCHEMBL10823431 | 0.84 | CHEK1 (0.45) | CHEK1CDK8NEK2LIMK1CYP1A2 | |
| SCHEMBL10823454 | 0.84 | CA12 (0.41) | CA12CA1CA2CA9EP300 | |
| SCHEMBL10823417 | 0.84 | EP300 (0.46) | HPSECA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-H83-H | Dental antiplaque agents and inhibitors of connective tissue destruction | AMERICAN CYANAMID COMPANY (US) | 1986-07-01 | — | — | US | disclosed |