Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL28709705 | 0.86 | NFE2L2 (0.52) | APPMAPK1MAPTTDP1L3MBTL1 | |
| SCHEMBL492221 | 0.82 | APP (0.70) | APPCYP3A4MAPK1MAPTTSHR | |
| SCHEMBL20328414 | 0.82 | APP (0.70) | APPCYP3A4MAPK1MAPTTSHR | |
| SCHEMBL20328415 | 0.82 | APP (0.70) | APPCYP3A4MAPK1MAPTTSHR | |
| Trimethylammonium SCHEMBL28704095 | 0.81 | ACHE (0.64) | CYP3A4CYP1A2MAPK1MAPTTSHR | |
| Hydrochloric Acid SCHEMBL15269629 | 0.80 | APP (0.68) | APPCYP3A4MAPK1MAPTTSHR | |
| SCHEMBL28853641 | 0.80 | APP (0.68) | APPCYP3A4MAPK1MAPTTSHR | |
| Ethane SCHEMBL10589507 | 0.80 | APP (0.68) | APPCYP3A4MAPK1MAPTTSHR | |
| SCHEMBL31096483 | 0.80 | APP (0.68) | APPCYP3A4MAPK1MAPTTSHR | |
| SCHEMBL27548370 | 0.80 | APP (0.68) | APPCYP3A4MAPK1MAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-114014879-A | Optically active biaryl borane adduct and preparation method and application thereof | 南开大学 | 2022-02-08 | — | — | CN | disclosed |