Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26239912 | 0.81 | ADRA2C (0.42) | ADRA2CBCHEACHEHRH1HTR2A | |
| SCHEMBL13428832 | 0.80 | KDM1A (0.46) | ADRA2CBCHEACHEHRH1CCR5 | |
| SCHEMBL13428821 | 0.80 | KDM1A (0.46) | ADRA2CBCHEACHEP2RX7HRH1 | |
| SCHEMBL13428897 | 0.79 | ADRA2C (0.40) | ADRA2CBCHEACHEHRH1HTR2A | |
| SCHEMBL6047196 | 0.79 | CYP2C9 (0.43) | CYP2C9NAMPTP2RX7HTR2AGABRA5 | |
| SCHEMBL14438316 | 0.77 | BCHE (0.48) | ADRA2CBCHEACHEHTR2AHTR2C | |
| SCHEMBL30980822 | 0.77 | KDM1A (0.50) | ADRA2CCYP2C9HTR2AHTR2CHTR2B | |
| SCHEMBL13428815 | 0.77 | KDM1A (0.50) | ADRA2CCYP2C9HTR2AHTR2CHTR2B | |
| SCHEMBL13428872 | 0.77 | MAPK1 (0.40) | ADRA2CBCHEACHEHRH1CCR5 | |
| SCHEMBL23791960 | 0.77 | CYP2C19 (0.37) | ADRA2CCYP2C9NAMPTP2RX7CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108349939-A | Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication | VIIV保健英国第五有限公司 | 2018-07-31 | — | — | CN | disclosed |
| EP-0871615-A1 | SUBSTITUTED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF ACETYLCHOLINE RECEPTORS | SIBIA NEUROSCIENCES, INC. (US) | 1998-10-21 | — | — | EP | disclosed |
| WO-1996031475-A2 | SUBSTITUTED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF ACETYLCHOLINE RECEPTORS | SIBIA NEUROSCIENCES, INC. (US) | 1996-10-10 | — | — | WO | disclosed |