Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MME | P08473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5211649 | 0.81 | TSHR (0.35) | FFAR3 | |
| SCHEMBL6624884 | 0.78 | NPSR1 (0.41) | ALDH1A1 | |
| SCHEMBL6651316 | 0.78 | — | — | |
| SCHEMBL3809509 | 0.77 | FFAR3 (0.38) | FFAR3CYP2C19ALDH1A1GAAMME | |
| SCHEMBL2862907 | 0.75 | CYP2C19 (0.38) | FFAR3CYP2C19ALDH1A1MME | |
| SCHEMBL11301399 | 0.75 | CYP2C19 (0.38) | FFAR3CYP2C19ALDH1A1MME | |
| SCHEMBL5513287 | 0.75 | CYP2C19 (0.38) | FFAR3CYP2C19ALDH1A1MME | |
| SCHEMBL5509879 | 0.75 | CYP2C19 (0.38) | FFAR3CYP2C19ALDH1A1MME | |
| SCHEMBL14420982 | 0.75 | FFAR3 (0.42) | FFAR3CYP2C19MME | |
| SCHEMBL28284575 | 0.73 | CYP2C19 (0.37) | FFAR3CYP2C19ALDH1A1MME |
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 3 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 |
| WO-2004041777-A2 | HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | disclosed |