Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6624884 | 0.83 | NPSR1 (0.41) | NPSR1CYP4F2CYP4A11MAPTMEN1 | |
| SCHEMBL5211649 | 0.79 | TSHR (0.35) | TSHR | |
| SCHEMBL5515078 | 0.78 | NPSR1 (0.47) | NPSR1CYP4F2CYP4A11MAPTMEN1 | |
| SCHEMBL1837872 | 0.76 | NPSR1 (0.45) | NPSR1CYP4F2CYP4A11TSHRMAPT | |
| SCHEMBL18063144 | 0.75 | NPSR1 (0.44) | NPSR1CYP4F2CYP4A11MAPTMEN1 | |
| SCHEMBL11375499 | 0.75 | NPSR1 (0.44) | NPSR1CYP4F2CYP4A11TSHRMAPT | |
| SCHEMBL7052954 | 0.70 | FFAR3 (0.33) | TSHR | |
| SCHEMBL13914177 | 0.69 | NPSR1 (0.39) | NPSR1CYP4F2CYP4A11TSHRMAPT | |
| SCHEMBL5515153 | 0.69 | NPSR1 (0.40) | NPSR1CYP4F2CYP4A11TSHRMAPT | |
| SCHEMBL11308445 | 0.68 | NPSR1 (0.45) | NPSR1CYP4F2CYP4A11MAPTMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1558599-A4 | HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2007-06-27 | — | — | EP | disclosed |
| EP-1558599-A2 | HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2005-08-03 | — | — | EP | disclosed |
| EP-1318811-A4 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2004041777-A2 | HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | disclosed |
| EP-1318811-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2003-06-18 | — | — | EP | disclosed |
| WO-2002013824-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2002-02-21 | — | — | WO | disclosed |