Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
| ▸ | PTPRF | P10586 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31497105 | 0.71 | ALDH1A1 (0.47) | BACE1MAOAMAOBALDH1A1CFTR | |
| SCHEMBL4624878 | 0.68 | CFTR (0.37) | BACE1ALDH1A1CFTRGOPCL3MBTL1 | |
| SCHEMBL4072205 | 0.64 | — | — | |
| SCHEMBL5180094 | 0.62 | ALDH1A1 (0.32) | ALDH1A1CFTRGOPCL3MBTL1 | |
| SCHEMBL23172855 | 0.62 | NOS3 (0.32) | MAOAALDH1A1LMNA | |
| Biphenyl SCHEMBL120429 | 0.59 | ALDH1A1 (0.75) | MAOAALDH1A1CRHBPCRHR2MAPK1 | |
| Biphenyl SCHEMBL28994328 | 0.58 | ALDH1A1 (0.90) | MAOAALDH1A1MAPK1LMNAMAPT | |
| Biphenyl SCHEMBL7559091 | 0.57 | ALDH1A1 (0.69) | MAOAALDH1A1CFTRGOPCMAPK1 | |
| SCHEMBL3686927 | 0.56 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1MAPK1LMNAMAPT | |
| SCHEMBL1706184 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013026455-A1 | PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS | AARHUS UNIVERSITET (DK) | 2013-02-28 | — | — | WO | claimed |
| WO-2013026455-A1 | PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS | AARHUS UNIVERSITET (DK) | 2013-02-28 | — | — | WO | disclosed |