Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 9/20 | 0.48 |
| ▸ | ABHD6 | Q9BV23 | 9/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | PLA2G7 | Q13093 | 6/20 | 0.47 |
| ▸ | FAAH | O00519 | 5/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20168755 | 0.92 | MGLL (0.50) | MGLLABHD6CYP2D6PLA2G7FAAH | |
| SCHEMBL15094825 | 0.92 | MGLL (0.55) | MGLLABHD6CYP2D6PLA2G7FAAH | |
| Hydrochloric Acid SCHEMBL20167952 | 0.91 | MGLL (0.54) | MGLLABHD6CYP2D6PLA2G7FAAH | |
| Fumaric Acid SCHEMBL20168297 | 0.88 | MGLL (0.51) | MGLLABHD6CYP2D6PLA2G7FAAH | |
| SCHEMBL29170870 | 0.81 | MGLL (0.49) | MGLLABHD6CYP2D6PLA2G7FAAH | |
| Elcubragistat SCHEMBL29431066 | 0.76 | MGLL (0.83) | MGLLABHD6CYP2D6PLA2G7 | |
| Elcubragistat SCHEMBL20168658 | 0.76 | MGLL (0.83) | MGLLABHD6CYP2D6PLA2G7 | |
| SCHEMBL15094637 | 0.76 | MGLL (0.46) | MGLLABHD6CYP2D6PLA2G7 | |
| SCHEMBL18229467 | 0.76 | MGLL (0.50) | MGLLABHD6CYP2D6PLA2G7FAAH | |
| SCHEMBL27224378 | 0.75 | MGLL (0.52) | MGLLABHD6CYP2D6PLA2G7FAAH |
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 |
|---|---|---|---|---|---|---|---|
| EP-3541807-A1 | CRYSTALLINE FORMS OF A MAGL INHIBITOR | Abide Therapeutics, Inc. (US) | 2019-09-25 | — | — | EP | disclosed |
| WO-2018093953-A1 | CRYSTALLINE FORMS OF A MAGL INHIBITOR | ABIDE THERAPEUTICS, INC. (US) | 2018-05-24 | — | — | WO | disclosed |