Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.39 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25944615 | 0.91 | ALDH1A1 (0.44) | ALDH1A1CYP2C19TSHRPDE10AKDM4E | |
| SCHEMBL21481357 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP2C19TSHRGRM5KDM4E | |
| SCHEMBL21481362 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP2C19TSHRGRM5KDM4E | |
| SCHEMBL21407088 | 0.89 | KDM4E (0.46) | ALDH1A1CYP2C19TSHRPDE10AKDM4E | |
| SCHEMBL15855401 | 0.88 | ALDH1A1 (0.45) | ALDH1A1CYP2C19TSHRPDE10AKDM4E | |
| SCHEMBL25920239 | 0.88 | AKT1 (0.36) | ALDH1A1CYP2C19TSHRPDE10AHPGD | |
| SCHEMBL25919665 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP2C19TSHRGRM5KDM4E | |
| SCHEMBL25919666 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP2C19TSHRGRM5KDM4E | |
| SCHEMBL25925769 | 0.86 | L3MBTL1 (0.49) | ALDH1A1TP53MAPTHPGDCYP2C9 | |
| SCHEMBL17348887 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP2C19TSHRGRM5KDM4E |
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-2023142485-A1 | BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 季华恒烨(佛山)电子材料有限公司 | 2023-08-03 | — | — | WO | disclosed |