Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.47 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL1287525 | 0.76 | CYP2A6 (0.53) | ALDH1A1KDM4ECA12CA1HPGD | |
| SCHEMBL1287488 | 0.76 | ALDH1A1 (0.54) | SLC22A12ALDH1A1KDM4EMEN1CA12 | |
| SCHEMBL22250960 | 0.73 | MCL1 (0.44) | MCL1SLC22A12PDE4APDE4BPDE4C | |
| SCHEMBL13072347 | 0.73 | DYRK1A (0.37) | HTR2CHTR2BHTR2ACA1CA9 | |
| SCHEMBL13799424 | 0.72 | MCL1 (0.52) | MCL1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28087518 | 0.72 | LOXL2 (0.46) | HTR2BCYP1A2HTR1ADRD2 | |
| SCHEMBL17090707 | 0.72 | DYRK1A (0.36) | CA1HPGDCA9 | |
| SCHEMBL20371441 | 0.72 | — | — | |
| SCHEMBL31082930 | 0.72 | HDAC6 (0.41) | MCL1HTR2CHTR2APDE4APDE4B | |
| SCHEMBL24236495 | 0.71 | CYP2A6 (0.51) | SLC22A12HTR2CHTR2BHTR2APTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2828269-B1 | BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA AND/OR BETA | COUNCIL SCIENT IND RES (IN) | 2018-05-16 | — | — | EP | disclosed |