Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 6/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 5/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.31 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.31 |
| ▸ | SPR | P35270 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL22754906 | 0.91 | MGLL (0.39) | MGLLCNR2CNR1AVPR1ACYP1A2 | |
| SCHEMBL22754925 | 0.90 | MGLL (0.41) | MGLLAVPR1AALDH1A1HPGDTSHR | |
| SCHEMBL22755029 | 0.88 | MGLL (0.42) | MGLLSLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL22755305 | 0.88 | MGLL (0.42) | MGLLSLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL22754944 | 0.86 | MGLL (0.34) | MGLLCNR2CNR1SPRCYP1A2 | |
| SCHEMBL22755295 | 0.85 | MGLL (0.35) | MGLLSLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL22755296 | 0.85 | MGLL (0.40) | MGLLCNR2SPRALDH1A1HPGD | |
| SCHEMBL22754873 | 0.85 | MGLL (0.38) | MGLLCNR2CNR1AVPR1AALDH1A1 | |
| SCHEMBL22754825 | 0.83 | MGLL (0.44) | MGLLCNR2AVPR1ASPRALDH1A1 | |
| SCHEMBL22754980 | 0.83 | MGLL (0.39) | MGLLALDH1A1HPGDTSHRHTT |
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-3747885-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2020-12-09 | — | — | EP | disclosed |