Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2248000 | 0.85 | HTR2A (0.60) | PPARAHTR2ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL966658 | 0.83 | PPARA (0.57) | PPARAHTR2ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL872958 | 0.83 | CXCL8 (0.67) | PPARAHTR2ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL1146416 | 0.83 | HTR2A (0.54) | PPARAHTR2ASLC6A4SLC6A2SLC6A3 | |
| Ammonia Solution, Strong SCHEMBL872909 | 0.82 | CHRM1 (0.65) | PPARAHTR2ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL5595313 | 0.79 | PPARA (0.53) | PPARAHTR2ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL27897489 | 0.78 | SLC6A4 (0.67) | PPARAHTR2ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11511051 | 0.78 | HTR2A (0.48) | PPARAHTR2ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL12929642 | 0.76 | SLC6A4 (0.68) | PPARAHTR2ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL641336 | 0.76 | SLC6A4 (0.63) | PPARAHTR2ASLC6A4SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012038975-A2 | PROCESS FOR THE PREPARATION OF (3ARS,12BRS)-5-CHLORO-2-METHYL-2,3,3A12B-TETRAHYDRO-1HDIBENZO[2,3:6,7] OXEPINO [4,5-C]PYRROLE MALEATE AND IT'S PHARMACEUTICAL COMPOSITION THEREOF | MSN LABORATORIES LIMITED (IN) | 2012-03-29 | — | — | WO | claimed |