Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | GSR | P00390 | 1/20 | 0.31 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL193810 | 0.85 | — | — | |
| Toluene SCHEMBL27958594 | 0.85 | LMNA (0.39) | P2RX7ALDH1A1NPC1RAB9ACYP2A6 | |
| Pyridine SCHEMBL27567296 | 0.81 | TSHR (0.35) | P2RX7 | |
| Pyrimidine SCHEMBL28211049 | 0.77 | — | — | |
| Quinoline SCHEMBL27304264 | 0.75 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ACYP2A6MAPT | |
| SCHEMBL10648567 | 0.73 | MEN1 (0.50) | ALDH1A1NPC1RAB9A | |
| SCHEMBL947168 | 0.72 | MEN1 (0.39) | ALDH1A1CYP2A6 | |
| SCHEMBL12097139 | 0.72 | — | — | |
| Formamide SCHEMBL27922846 | 0.72 | AKT1 (0.38) | AKT1AKT2ALDH1A1RAB9AXDH | |
| Formic Acid SCHEMBL28179543 | 0.72 | AKT1 (0.38) | AKT1AKT2ALDH1A1RAB9ACASP1 |
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-117088888-A | Preparation method of alprazolam and impurity LAP thereof | 山东安信制药有限公司 | 2023-11-21 | — | — | CN | disclosed |