Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.48 |
| ▸ | CETP | P11597 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27701893 | 0.82 | CETP (0.47) | ALDH1A1CETPTAAR1HTR2AHTR6 | |
| SCHEMBL27702067 | 0.81 | HRH4 (0.47) | CETPTAAR1HTR2AHTR6HTR3A | |
| SCHEMBL27701890 | 0.80 | CETP (0.49) | KMT2AALDH1A1CETPTAAR1HTR2A | |
| SCHEMBL15613209 | 0.71 | POLB (1.00) | POLBKMT2AALDH1A1ROCK1TAAR1 | |
| SCHEMBL27617368 | 0.70 | POLB (0.84) | POLBKMT2AALDH1A1ROCK1CETP | |
| SCHEMBL27682791 | 0.68 | CETP (0.58) | POLBKMT2ACETPTAAR1HTR2A | |
| SCHEMBL15613241 | 0.68 | ALDH1A1 (0.97) | POLBKMT2AALDH1A1ROCK1TAAR1 | |
| SCHEMBL16872901 | 0.67 | ALDH1A1 (1.00) | POLBKMT2AALDH1A1ROCK1TAAR1 | |
| SCHEMBL27598825 | 0.66 | POLB (0.86) | POLBKMT2AALDH1A1ROCK1TAAR1 | |
| SCHEMBL15800688 | 0.66 | POLB (0.74) | POLBKMT2AALDH1A1ROCK1TAAR1 |
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-101054372-B | Pyrimidine substituted benzenepropanoic acid derivative, its preparation method and use in curing polycystic kidney disease | SHANGHAI INST MATERIA MEDICA | 2010-10-13 | — | — | CN | disclosed |
| CN-101054372-A | Pyrimidine substituted benzenepropanoic acid derivative, its preparation method and use in curing polycystic kidney disease | SHANGHAI INST MATERIA MEDICA (CN) | 2007-10-17 | — | — | CN | disclosed |