Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 10/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8955169 | 0.87 | CHRNA7 (0.42) | CXCR4HTR2AHTR2CHTR2BFNTA | |
| SCHEMBL9963450 | 0.85 | CXCR4 (0.46) | CXCR4CYP2D6HRH1 | |
| SCHEMBL9934555 | 0.83 | FNTA (0.53) | CXCR4CYP2D6CHRM2CHRM1HTR2A | |
| SCHEMBL9933651 | 0.83 | FNTA (0.53) | CXCR4CYP2D6CHRM2CHRM1HTR2A | |
| SCHEMBL9933633 | 0.81 | FNTA (0.45) | FNTAFNTB | |
| SCHEMBL9673260 | 0.79 | CXCR4 (0.46) | CXCR4CYP2D6 | |
| SCHEMBL9672362 | 0.78 | CXCR4 (0.46) | CXCR4CYP2D6TSHR | |
| SCHEMBL9742041 | 0.78 | CHRNA7 (0.44) | CXCR4TSHRFNTAFNTB | |
| SCHEMBL5871397 | 0.77 | HTR2A (0.46) | DRD2HTR1AADRA2CDRD1HTR2A | |
| SCHEMBL9934271 | 0.77 | FNTA (0.58) | FNTAFNTB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2470021-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| WO-2011025690-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |