Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 3/20 | 0.45 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27702067 | 0.86 | HRH4 (0.47) | CETPTAAR1HTR6HTR3AADRB1 | |
| SCHEMBL27701890 | 0.85 | CETP (0.49) | CETPTAAR1HTR6HTR3ASIGMAR1 | |
| SCHEMBL27701987 | 0.82 | POLB (0.54) | CETPTAAR1HTR6HTR3AHTR2C | |
| SCHEMBL27682791 | 0.73 | CETP (0.58) | CETPTAAR1HTR6HTR2CHTR2A | |
| SCHEMBL1830467 | 0.70 | SMO (0.70) | TAAR1HTR2CHPGD | |
| SCHEMBL10078401 | 0.69 | TAAR1 (0.50) | CETPTAAR1HTR6HTR3AADRB1 | |
| SCHEMBL21794745 | 0.69 | TAAR1 (0.44) | CETPTAAR1HTR6SOS1HTR3A | |
| SCHEMBL5788785 | 0.68 | ALDH1A1 (0.60) | CETPTAAR1HTR6HTR3AADRB1 | |
| SCHEMBL27737301 | 0.68 | CETP (0.58) | CETPTAAR1HTR6HTR3AHTR2C | |
| SCHEMBL20315055 | 0.68 | MEN1 (0.58) | TAAR1CYP1A2CYP3A4HPGDCYP2C19 |
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 |