Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 5/20 | 0.43 |
| ▸ | HTR7 | P34969 | 6/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8524744 | 0.86 | KCNH3 (0.50) | KCNH3HTR7ADRA1DADRA1AADRA1B | |
| SCHEMBL2256167 | 0.83 | CASP1 (0.38) | NPC1RAB9AKDM4EJAK2ALDH1A1 | |
| SCHEMBL3685659 | 0.80 | CASP1 (0.54) | NPC1RAB9AKDM4EJAK2ALDH1A1 | |
| SCHEMBL25724029 | 0.79 | KCNH3 (0.45) | KCNH3HTR7ADRA1DADRA1AADRA1B | |
| SCHEMBL11551962 | 0.75 | KCNH3 (0.51) | KCNH3HTR7ADRA1DADRA1AADRA1B | |
| SCHEMBL9109374 | 0.74 | HRH4 (0.45) | NPC1RAB9AKDM4EJAK2ALDH1A1 | |
| SCHEMBL6754313 | 0.74 | KCNH3 (0.46) | KCNH3HTR7ADRA1DADRA1AADRA1B | |
| SCHEMBL28563216 | 0.73 | RAB9A (0.66) | NPC1RAB9AKDM4EJAK2ALDH1A1 | |
| SCHEMBL10727606 | 0.69 | CASP1 (0.42) | CASP1L3MBTL1 | |
| SCHEMBL32675851 | 0.68 | HTR7 (0.40) | KCNH3HTR7ADRA1DADRA1AADRA1B |
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-117624137-A | Triazine skeleton small molecule heparin reversal agent and preparation method and application thereof | 中国药科大学 | 2024-03-01 | — | — | CN | disclosed |