Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.35 |
| ▸ | LIPC | P11150 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL25326405 | 0.86 | SLC6A4 (0.46) | MGLLSLC6A4SLC6A2SLC6A3CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL22462839 | 0.83 | LIPG (0.39) | MGLLSLC6A4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL22462946 | 0.79 | MGLL (0.56) | MGLLACLYFFAR4LIPCLIPG | |
| SCHEMBL29511868 | 0.76 | DAO (0.47) | MGLLSLC6A4SLC6A2SLC6A3CHRNB2 | |
| SCHEMBL22462939 | 0.76 | DAO (0.47) | MGLLSLC6A4SLC6A2SLC6A3CHRNB2 | |
| SCHEMBL3685960 | 0.76 | PTGDR2 (0.49) | ACLYFFAR4THRATHRB | |
| Trifluoroacetic Acid SCHEMBL21723000 | 0.76 | SLC6A4 (0.45) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL28536574 | 0.76 | SLC6A4 (0.45) | SLC6A4SLC6A2SLC6A3CYP1A2CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL21723012 | 0.74 | SLC6A4 (0.46) | MGLLSLC6A4SLC6A2SLC6A3CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL21722929 | 0.73 | EPHX2 (0.54) | — |
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 |