Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLOD2 | O00469 | 3/20 | 0.55 |
| ▸ | PLOD3 | O60568 | 3/20 | 0.55 |
| ▸ | PLOD1 | Q02809 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14393335 | 0.81 | KDM4E (0.61) | CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL27908475 | 0.80 | CA12 (0.52) | CYP3A4ALDH1A1HIF1AKDM4EMPO | |
| SCHEMBL2008122 | 0.79 | CYP1A2 (0.64) | PLOD2PLOD3PLOD1CYP1A2CYP2C19 | |
| SCHEMBL5160670 | 0.79 | PLOD2 (0.60) | PLOD2PLOD3PLOD1CYP1A2CYP2C19 | |
| SCHEMBL1919299 | 0.79 | PLOD2 (0.60) | PLOD2PLOD3PLOD1CYP1A2CYP2C19 | |
| SCHEMBL27908329 | 0.79 | GSK3B (0.50) | CYP1A2ALDH1A1HPGDL3MBTL1MMP1 | |
| SCHEMBL10948430 | 0.78 | PLOD2 (0.83) | PLOD2PLOD3PLOD1CYP1A2CYP2C19 | |
| SCHEMBL1062957 | 0.76 | PLOD2 (0.56) | PLOD2PLOD3PLOD1CYP1A2CYP2C19 | |
| SCHEMBL5161052 | 0.76 | PLOD2 (0.56) | PLOD2PLOD3PLOD1CYP1A2CYP2C19 | |
| SCHEMBL9402963 | 0.76 | ALDH1A1 (0.44) | ALDH1A1MMP1LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101417937-B | Beta-aldehyde ketones antibacterial compounds and use thereof | UNIV SUN YAT SEN | 2013-05-29 | — | — | CN | claimed |
| CN-101417937-B | Beta-aldehyde ketones antibacterial compounds and use thereof | UNIV SUN YAT SEN | 2013-05-29 | — | — | CN | disclosed |