Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | BPTF | Q12830 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17844175 | 0.76 | CA12 (0.38) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL17844088 | 0.74 | KDM4E (0.40) | CA12CA9L3MBTL1CA2KDM4E | |
| SCHEMBL3551960 | 0.72 | BRD4 (0.39) | L3MBTL1KAT2BBRD4BRD9KDM4E | |
| SCHEMBL8444760 | 0.70 | KAT2B (0.47) | CA12CA9CA1KAT2BKDM4E | |
| SCHEMBL17844227 | 0.69 | POLB (0.39) | CA12CA9CA2KDM4EALDH1A1 | |
| SCHEMBL5184355 | 0.68 | BRD4 (0.36) | BRD4ALDH1A1LMNATP53HSD17B10 | |
| SCHEMBL1123066 | 0.65 | CASP3 (0.58) | PKMKDM4EALDH1A1TP53MAPT | |
| SCHEMBL3584813 | 0.63 | MIF (0.53) | CA12CA9CA1KAT2BCYP1A2 | |
| Biphenyl SCHEMBL2598157 | 0.58 | ALDH1A1 (0.75) | ALDH1A1LMNAMAPTHSD17B10CYP1A2 | |
| SCHEMBL14929531 | 0.57 | PCSK9 (0.41) | CA12CA9PKMCA2KDM4E |
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-1838687-A1 | NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006073366-A1 | NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2006-07-13 | — | — | WO | disclosed |