Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | KHK | P50053 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27599453 | 1.00 | MAOA (0.56) | MAOAMAOBNFE2L2KDRPTGS1 | |
| Hydrochloric Acid SCHEMBL1474736 | 0.98 | MAOA (0.54) | MAOAMAOBNFE2L2KDRPTGS1 | |
| Hydrochloric Acid SCHEMBL1474738 | 0.98 | MAOA (0.54) | MAOAMAOBNFE2L2KDRPTGS1 | |
| SCHEMBL6011018 | 0.81 | LCK (0.49) | MAOAMAOBFBP1KHK | |
| SCHEMBL2719158 | 0.81 | CYP1A2 (0.47) | MAOAMAOBFBP1KHK | |
| SCHEMBL2719157 | 0.81 | CYP1A2 (0.47) | MAOAMAOBFBP1KHK | |
| SCHEMBL10068849 | 0.81 | HTR2C (0.50) | MAOAMAOBPTGS1PTGS2FBP1 | |
| SCHEMBL20015392 | 0.80 | MAOB (0.58) | MAOAMAOBNFE2L2FBP1 | |
| SCHEMBL5213208 | 0.80 | MAOB (0.51) | MAOAMAOBNFE2L2KHK | |
| SCHEMBL20015683 | 0.79 | KDM1A (0.51) | MAOAMAOBKHK |
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 3 patents. 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 |
| CN-100389113-C | Nitrogen-containing heterocyclic compound and drug containing same | EISAI CO LTD (JP) | 2008-05-21 | — | — | CN | disclosed |
| CN-1630650-A | Nitrogen-containing heterocyclic compound and drug containing same | EISAI CO LTD (JP) | 2005-06-22 | — | — | CN | disclosed |