Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | PAICS | P22234 | 1/20 | 0.36 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31532359 | 0.78 | CYP2D6 (0.38) | ALDH1A1TRPM5CYP3A4CYP2D6 | |
| SCHEMBL27620297 | 0.76 | ALDH1A1 (0.53) | ALDH1A1ALOX15SIGMAR1PAICSCXCR4 | |
| SCHEMBL27324260 | 0.76 | ALDH1A1 (0.42) | ALDH1A1ALOX15SIGMAR1PAICSCXCR4 | |
| SCHEMBL25145638 | 0.74 | CACNA1H (0.42) | TRPM5HRH3 | |
| SCHEMBL2828246 | 0.73 | MLYCD (0.47) | ADRB1EPHX2 | |
| SCHEMBL25146275 | 0.73 | ALDH1A1 (0.45) | ALDH1A1SIGMAR1CXCR4MEN1CHRM2 | |
| SCHEMBL25145700 | 0.72 | ALDH1A1 (0.37) | ALDH1A1ALOX15SIGMAR1CXCR4MEN1 | |
| Hydrochloric Acid SCHEMBL2823876 | 0.72 | MLYCD (0.46) | ADRB1EPHX2 | |
| SCHEMBL25145991 | 0.70 | SIGMAR1 (0.47) | ALDH1A1SIGMAR1CXCR4MEN1CHRM2 | |
| SCHEMBL25145880 | 0.70 | BAZ2A (0.41) | ALDH1A1ALOX15SIGMAR1CXCR4MEN1 |
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-2024088922-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) | F. HOFFMANN-LA ROCHE AG (CH) | 2024-05-02 | — | — | WO | disclosed |