Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 3/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.40 |
| ▸ | LYN | P07948 | 1/20 | 0.40 |
| ▸ | PLK2 | Q9NYY3 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BUB1 | O43683 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.36 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5613761 | 0.81 | PSMB8 (0.41) | NPC1MAPTRAB9AP2RX3 | |
| SCHEMBL5606238 | 0.77 | PGR (0.38) | NPC1MAPTRAB9AP2RX3 | |
| SCHEMBL5607313 | 0.77 | SMN1; SMN2 (0.38) | NPC1MAPTRAB9AP2RX3 | |
| SCHEMBL5613942 | 0.76 | BPTF (0.43) | — | |
| SCHEMBL5607253 | 0.74 | MAPT (0.38) | MAPTP2RX3 | |
| SCHEMBL5606522 | 0.74 | PLK1 (0.41) | MAPTACHE | |
| SCHEMBL17844161 | 0.74 | FAAH (0.44) | NPC1MAPTRAB9A | |
| SCHEMBL5613996 | 0.73 | MAPT (0.46) | LYNKDRNPC1MAPTRAB9A | |
| SCHEMBL5607329 | 0.73 | NPC1 (0.41) | LYNGRM2EGFRNPC1RAB9A | |
| SCHEMBL3488115 | 0.73 | EPHX1 (0.43) | EPHX1PLK2GRM2EGFRKDR |
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-1838686-A1 | DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006073363-A1 | DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2006-07-13 | — | — | WO | disclosed |