Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.41 |
| ▸ | DRD2 | P14416 | 4/20 | 0.41 |
| ▸ | HTR7 | P34969 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6021982 | 0.92 | ALDH1A1 (0.39) | ALDH1A1LMNARECQLTSHRMAPT | |
| SCHEMBL6021981 | 0.87 | RECQL (0.34) | HTR1ADRD2HTR7HTR6ALDH1A1 | |
| SCHEMBL6021934 | 0.86 | MEN1 (0.40) | ALDH1A1RECQLTSHRMAPT | |
| SCHEMBL4691523 | 0.86 | TPSAB1 (0.36) | ALDH1A1NAMPTTSHRMAPT | |
| SCHEMBL6027475 | 0.77 | TRPV1 (0.37) | HTR1ADRD2HTR7HTR6KDM4E | |
| SCHEMBL4695551 | 0.76 | CNR2 (0.40) | HTR1ADRD2HTR7HTR6KDM4E | |
| SCHEMBL6021999 | 0.75 | LTB4R2 (0.33) | HTR1ADRD2HTR7HTR6ALDH1A1 | |
| SCHEMBL3726076 | 0.75 | CHRM3 (0.37) | — | |
| SCHEMBL5279260 | 0.75 | ALDH1A1 (0.41) | ALDH1A1KDM4EL3MBTL1TSHRMAPK1 | |
| SCHEMBL6021946 | 0.74 | TRPV1 (0.47) | ALDH1A1TSHR |
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-1893577-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006138218-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2006-12-28 | — | — | WO | disclosed |