Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.42 |
| ▸ | CKS1B | P61024 | 1/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21408573 | 0.81 | KEAP1 (0.44) | KEAP1CKS1BGLO1SKP2PTGS2 | |
| SCHEMBL16759968 | 0.72 | KEAP1 (0.61) | KEAP1CKS1BGLO1SKP2LMNA | |
| SCHEMBL29788215 | 0.72 | KEAP1 (0.61) | KEAP1CKS1BGLO1SKP2LMNA | |
| SCHEMBL11269403 | 0.70 | PDCD1 (0.42) | PTGS2LMNAALDH1A1KDM4EHPGD | |
| SCHEMBL21408485 | 0.70 | CKS1B (0.46) | KEAP1CKS1BGLO1SKP2PTGS2 | |
| SCHEMBL28903467 | 0.68 | KEAP1 (0.44) | KEAP1LMNAKDM4EMAPTHPGD | |
| SCHEMBL4533547 | 0.67 | KDM1A (0.60) | KEAP1CKS1BGLO1SKP2PTGS2 | |
| SCHEMBL31645593 | 0.67 | KDM1A (0.60) | KEAP1CKS1BGLO1SKP2PTGS2 | |
| SCHEMBL5611087 | 0.67 | KEAP1 (0.43) | KEAP1CKS1BGLO1SKP2PTGS2 | |
| SCHEMBL157836 | 0.66 | KEAP1 (0.47) | KEAP1GLO1PTGS2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1861365-A1 | N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS | Nycomed GmbH (DE) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006097474-A1 | N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS | NYCOMED GMBH (DE) | 2006-09-21 | — | — | WO | disclosed |