Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 9/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 8/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.38 |
| ▸ | MLNR | O43193 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1704169 | 1.00 | HRH3 (0.44) | HRH3S1PR5S1PR1S1PR4HSD11B1 | |
| SCHEMBL1704580 | 0.89 | MLNR (0.41) | S1PR5S1PR1S1PR4HSD11B1RORC | |
| SCHEMBL31096238 | 0.87 | GPR119 (0.42) | HRH3S1PR5S1PR1HSD11B1ABCB1 | |
| SCHEMBL1703945 | 0.86 | KCNK3 (0.44) | HRH3S1PR1RORCHDAC1HDAC6 | |
| SCHEMBL377569 | 0.86 | GBA1 (0.41) | HRH3S1PR5S1PR1HSD11B1ABCB1 | |
| SCHEMBL11978840 | 0.84 | HDAC1 (0.36) | HRH3S1PR5S1PR1HSD11B1ABCB1 | |
| SCHEMBL377504 | 0.84 | PTPN2 (0.39) | HRH3MLNRCYP3A4DRD2HDAC1 | |
| SCHEMBL3660136 | 0.84 | CHRM4 (0.41) | HRH3S1PR5S1PR1HSD11B1ABCB1 | |
| SCHEMBL16627299 | 0.83 | GPR119 (0.50) | MLNRCYP3A4DRD2 | |
| SCHEMBL377559 | 0.82 | ALDH1A1 (0.48) | KCNH2DRD4 |
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-1907374-A2 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007012479-A2 | BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE | GLAXO GROUP LIMITED (GB) | 2007-02-01 | — | — | WO | disclosed |