Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5213208 | 0.89 | MAOB (0.51) | MAOBMAOAHSD11B1NFE2L2APP | |
| SCHEMBL817532 | 0.82 | KDM1A (0.46) | MAOBMAOA | |
| Hydrochloric Acid SCHEMBL31556609 | 0.81 | MAOB (0.48) | MAOB | |
| Hydrochloric Acid SCHEMBL30836062 | 0.81 | MAOB (0.48) | MAOB | |
| Trifluoroacetic Acid SCHEMBL19994588 | 0.77 | HSD11B1 (0.42) | MAOBMAOAHSD11B1TNFRSF1A | |
| Trifluoroacetic Acid SCHEMBL19994585 | 0.77 | HSD11B1 (0.42) | MAOBMAOAHSD11B1TNFRSF1A | |
| SCHEMBL7249057 | 0.74 | SLC6A2 (0.39) | — | |
| SCHEMBL30987469 | 0.74 | MAOB (0.54) | MAOBMAOAHSD11B1NFE2L2APP | |
| SCHEMBL1346242 | 0.73 | CHRNA3 (0.43) | NFE2L2 | |
| SCHEMBL1346243 | 0.73 | CHRNA3 (0.43) | NFE2L2 |
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-2018055096-A1 | DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | UNIVERSITY OF LJUBLJANA (SI) | 2018-03-29 | — | — | WO | disclosed |