Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.31 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5184298 | 0.84 | CA12 (0.33) | SLC6A2CA12CA2CA9KCNH2 | |
| SCHEMBL17844227 | 0.81 | POLB (0.39) | SMN1; SMN2CDK1SYKCDK2CA12 | |
| SCHEMBL5329025 | 0.80 | SMN1; SMN2 (0.35) | SMN1; SMN2CHEK1CDK1PRKDCCCNE2 | |
| SCHEMBL3551960 | 0.79 | BRD4 (0.39) | SMN1; SMN2 | |
| SCHEMBL17844088 | 0.76 | KDM4E (0.40) | SMN1; SMN2CA12CA2CA9 | |
| SCHEMBL17844175 | 0.75 | CA12 (0.38) | CA12CA2CA9 | |
| SCHEMBL17844110 | 0.74 | MAOA (0.40) | — | |
| SCHEMBL17844119 | 0.73 | TAAR1 (0.40) | — | |
| SCHEMBL17844244 | 0.70 | MTNR1A (0.40) | — | |
| SCHEMBL17844236 | 0.70 | DRD2 (0.44) | SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7723333-B2 | Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators | ASTRAZENECA AB (SE) | 2010-05-25 | — | — | US | claimed |
| WO-2016100619-A2 | TREATMENT AND DIAGNOSIS OF CANCER | RGENIX, INC. (US) | 2016-06-23 | — | — | WO | disclosed |