Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 4/20 | 0.32 |
| ▸ | ERN1 | O75460 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KDM4A | O75164 | 2/20 | 0.31 |
| ▸ | KDM4B | O94953 | 2/20 | 0.31 |
| ▸ | KDM5C | P41229 | 2/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21383373 | 0.83 | ERN1 (0.44) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL27188142 | 0.72 | KDM4E (0.51) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL21383047 | 0.69 | L3MBTL1 (0.42) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL26087615 | 0.69 | RAB9A (0.45) | ALDH1A1NPC1RAB9AKDM5BMAPT | |
| SCHEMBL26087769 | 0.68 | KDM5A (0.52) | NPC1RAB9AKDM5B | |
| SCHEMBL21385830 | 0.68 | MRGPRX4 (0.56) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL27188169 | 0.68 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL6027093 | 0.66 | MRGPRX4 (0.55) | KDM4EALDH1A1ERN1NPC1RAB9A | |
| SCHEMBL22693427 | 0.66 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL5756261 | 0.66 | MAPT (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019182938-A1 | AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2019-09-26 | — | — | WO | disclosed |