Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28534405 | 0.72 | SLC6A3 (0.41) | SLC6A3SLC6A4CYP3A4MAPTKMT2A | |
| SCHEMBL9481114 | 0.71 | SLC6A3 (0.55) | SLC6A3SLC6A4CYP3A4ALDH1A1SLC6A2 | |
| SCHEMBL21723004 | 0.71 | SLC6A4 (0.57) | SLC6A3SLC6A4SLC6A2GRM5HSD11B1 | |
| SCHEMBL17761221 | 0.68 | SLC6A3 (0.54) | SLC6A3SLC6A4CYP3A4MAPTKDM4E | |
| SCHEMBL27355315 | 0.65 | POLB (0.40) | SLC6A4KDM4EALDH1A1POLBHPGD | |
| SCHEMBL9481251 | 0.65 | SLC6A4 (0.68) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL20978149 | 0.65 | SLC6A4 (0.50) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL9921757 | 0.64 | SLC6A3 (0.49) | SLC6A3SLC6A4CYP3A4MAPTSLC6A2 | |
| SCHEMBL3517321 | 0.64 | SLC6A3 (1.00) | SLC6A3SLC6A4SLC6A2DPP4 | |
| SCHEMBL3520534 | 0.64 | SLC6A4 (1.00) | SLC6A3SLC6A4SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112867720-A | Novel heterocyclic compounds as monoacylglycerol lipase inhibitors | 豪夫迈·罗氏有限公司 | 2021-05-28 | — | — | CN | disclosed |
| CN-112469724-A | Novel heterocyclic compounds as monoacylglycerol lipase inhibitors | 豪夫迈·罗氏有限公司 | 2021-03-09 | — | — | CN | disclosed |