Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HMGCR | P04035 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL10044442 | 0.85 | CYP1A2 (0.44) | CYP1A2TAAR1ADRA1AAPLNRMAPK1 | |
| SCHEMBL29153604 | 0.79 | CYP1A2 (0.47) | CYP1A2HMGCRTAAR1ADRA1AALOX5 | |
| SCHEMBL737347 | 0.79 | PDE4A (0.47) | CYP1A2TAAR1ADRA1AAPLNRMAPK1 | |
| SCHEMBL9145125 | 0.78 | CYP1A2 (0.46) | CYP1A2HMGCRTAAR1ADRA1AALOX5 | |
| SCHEMBL29153638 | 0.78 | CYP1A2 (0.46) | CYP1A2HMGCRTAAR1ADRA1AALOX5 | |
| SCHEMBL15883267 | 0.77 | ALDH1A1 (0.53) | CYP1A2MAPK1KDM4EMEN1ALDH1A1 | |
| SCHEMBL4716537 | 0.75 | CYP1A2 (0.40) | CYP1A2TAAR1ADRA1AAPLNRKDM4E | |
| SCHEMBL26490138 | 0.75 | MAPK1 (0.41) | CYP1A2HMGCRTAAR1ADRA1AALOX5 | |
| SCHEMBL27678560 | 0.75 | ALDH1A1 (0.50) | CYP1A2KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL8009626 | 0.74 | CYP1A2 (0.44) | CYP1A2HMGCRTAAR1MAPK1ALDH1A1 |
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-109721599-A | A kind of amino replaces nitrogenous fused ring compound and its preparation method and application | 如东凌达生物医药科技有限公司 | 2019-05-07 | — | — | CN | disclosed |