Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | BRS3 | P32247 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
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 | 0.89 | HRH3 (0.44) | MLNRCYP3A4S1PR1HSD11B1HDAC1 | |
| SCHEMBL4595783 | 0.89 | HRH3 (0.44) | MLNRCYP3A4S1PR1HSD11B1HDAC1 | |
| SCHEMBL4188128 | 0.87 | MLNR (0.42) | MLNRCYP3A4S1PR1HDAC1HDAC6 | |
| SCHEMBL31096238 | 0.84 | GPR119 (0.42) | S1PR1HSD11B1HDAC1HDAC6JAK1 | |
| SCHEMBL377504 | 0.83 | PTPN2 (0.39) | MLNRCYP3A4HDAC1HDAC6JAK1 | |
| SCHEMBL1703945 | 0.83 | KCNK3 (0.44) | S1PR1HDAC1HDAC6GPR119KDM4E | |
| SCHEMBL377569 | 0.83 | GBA1 (0.41) | S1PR1HSD11B1JAK1S1PR5GPR119 | |
| SCHEMBL23257920 | 0.81 | VEGFA (0.50) | HDAC1HDAC6CACNA1GALDH1A1MAPT | |
| SCHEMBL11978840 | 0.81 | HDAC1 (0.36) | S1PR1HSD11B1HDAC1HDAC6JAK1 | |
| SCHEMBL3660136 | 0.81 | CHRM4 (0.41) | S1PR1HSD11B1HDAC1HDAC6JAK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |