Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28032991 | 0.79 | BACE1 (0.42) | MAOABACE1MAOBCYP3A4CASP1 | |
| SCHEMBL18739045 | 0.78 | MAOA (0.47) | MAOAMAOBMTNR1AMTNR1BALDH1A1 | |
| SCHEMBL926391 | 0.78 | CYP3A4 (0.46) | MAOABACE1MAOBCYP3A4CASP1 | |
| SCHEMBL30426786 | 0.78 | CYP3A4 (0.46) | MAOABACE1MAOBCYP3A4CASP1 | |
| SCHEMBL22468935 | 0.78 | BACE1 (0.44) | MAOABACE1MAOBCYP3A4CASP1 | |
| SCHEMBL12394796 | 0.77 | MAOA (0.46) | MAOAMAOBCYP3A4MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL2651523 | 0.76 | CYP3A4 (0.44) | MAOABACE1MAOBCYP3A4CASP1 | |
| SCHEMBL8260518 | 0.75 | MAOA (0.48) | MAOAMAOBCYP3A4MTNR1AMTNR1B | |
| SCHEMBL21313338 | 0.75 | CYP3A4 (0.48) | MAOABACE1MAOBCYP3A4CASP1 | |
| Fluoride SCHEMBL1336700 | 0.74 | MAOA (0.68) | MAOAMAOBMTNR1AMTNR1BALDH1A1 |
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-2007064869-A2 | CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES | YALE UNIVERSITY (US) | 2007-06-07 | — | — | WO | disclosed |
| WO-2006102760-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2006-10-05 | — | — | WO | disclosed |