Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | CCNK | O75909 | 1/20 | 0.46 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15202358 | 0.77 | COMT (0.43) | ADRA1AHSD11B1ALDH1A1MAPK1NPC1 | |
| SCHEMBL29790460 | 0.77 | COMT (0.43) | ADRA1AHSD11B1ALDH1A1MAPK1NPC1 | |
| SCHEMBL20547561 | 0.74 | CCNK (0.39) | ADRA1ACCNKCDK12P2RX7GRM2 | |
| SCHEMBL17066883 | 0.74 | ALK (0.50) | ADRA1ACCNKCDK12P2RX7ALK | |
| SCHEMBL28840712 | 0.72 | NR3C2 (0.36) | HSD11B1ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL28840679 | 0.70 | POLB (0.47) | ALDH1A1MAPK1NPC1RAB9APOLB | |
| SCHEMBL21858853 | 0.70 | MEN1 (0.39) | ADRA1ACCNKCDK12GRM2ALK | |
| SCHEMBL12681376 | 0.69 | CCNK (0.49) | ADRA1ACCNKCDK12P2RX7ALK | |
| SCHEMBL24526832 | 0.69 | — | — | |
| SCHEMBL21858857 | 0.68 | CCNK (0.51) | ADRA1ACCNKCDK12P2RX7ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114907404-B | 5- (2- (Disubstituted phosphino) phenyl) -1-alkyl-1H-pyrazolyl phosphine ligand and preparation method and application thereof | 香港理工大学深圳研究院 | 2024-05-14 | — | — | CN | disclosed |
| CN-114907404-A | 5- (2- (disubstituted phosphino) phenyl) -1-alkyl-1H-pyrazolylphosphine ligand and preparation method and application thereof | 香港理工大学深圳研究院 | 2022-08-16 | — | — | CN | disclosed |