Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 3/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 0.34 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29790554 | 1.00 | ADRA1A (0.38) | ADRA1AACVR1ADRA1DADRA1BROCK2 | |
| SCHEMBL28840670 | 0.83 | ATR (0.32) | ROCK2 | |
| SCHEMBL29790476 | 0.83 | ADRA1A (0.41) | ADRA1ALMNAKMT2A | |
| SCHEMBL28840702 | 0.83 | ADRA1A (0.41) | ADRA1ALMNAKMT2A | |
| SCHEMBL29790494 | 0.83 | ATR (0.32) | ROCK2 | |
| SCHEMBL28841005 | 0.81 | PTGS2 (0.39) | LMNAKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29790581 | 0.81 | PTGS2 (0.39) | LMNAKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL520084 | 0.77 | BCHE (0.37) | ROCK2ALDH1A1MAPTLMNAKMT2A | |
| SCHEMBL28840664 | 0.75 | ADRA1A (0.41) | ADRA1AADRA1DADRA1BROCK2ROCK1 | |
| SCHEMBL10296010 | 0.74 | KMT2A (0.51) | BRD4ALDH1A1MAPTLMNAKMT2A |
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 |