Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | KHK | P50053 | 1/20 | 0.37 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL456356 | 0.84 | RAB9A (0.43) | CNR2KHKIRAK4 | |
| SCHEMBL457514 | 0.76 | CHRNB2 (0.36) | CHRNB2CHRNA4CNR1CNR2ALDH1A1 | |
| SCHEMBL11343167 | 0.68 | KHK (0.52) | SMN1; SMN2KDM4EALDH1A1HPGDKHK | |
| SCHEMBL1704390 | 0.67 | KDM4E (0.55) | CYP1A2CYP2D6SMN1; SMN2HIF1AKDM4E | |
| Hydrochloric Acid SCHEMBL30632614 | 0.66 | KDM4E (0.53) | CYP1A2CYP2D6SMN1; SMN2HIF1AKDM4E | |
| SCHEMBL30642019 | 0.66 | KDM4E (0.48) | CYP2D6SMN1; SMN2HIF1AKDM4EALDH1A1 | |
| SCHEMBL5462444 | 0.66 | PARP1 (0.61) | CYP1A2CYP2D6SMN1; SMN2HIF1AKDM4E | |
| SCHEMBL454902 | 0.66 | MAOB (0.64) | KDM4EALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL1238402 | 0.66 | CHRNB2 (0.63) | CHRNB2CHRNA4CHRNB4CHRNA3IRAK4 | |
| Hydrochloric Acid SCHEMBL1238398 | 0.66 | CHRNB2 (0.63) | CHRNB2CHRNA4CHRNB4CHRNA3IRAK4 |
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-2613630-A1 | HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES | Cempra Pharmaceuticals, Inc. (US) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012034058-A1 | HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES | CEMPRA PHARMACEUTICALS, INC. (US) | 2012-03-15 | — | — | WO | disclosed |