Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.68 |
| ▸ | STK17B | O94768 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29827413 | 0.87 | CYP3A4 (0.60) | MAOBSTK17BCYP3A4MAPTHPGD | |
| SCHEMBL13982628 | 0.87 | CYP3A4 (0.60) | MAOBSTK17BCYP3A4MAPTHPGD | |
| SCHEMBL4734179 | 0.86 | CYP3A4 (0.78) | MAOBSTK17BCYP3A4MAPTHPGD | |
| SCHEMBL2400347 | 0.82 | MAOB (1.00) | MAOBCYP3A4MAPTMEN1KMT2A | |
| SCHEMBL29478296 | 0.82 | MAOB (1.00) | MAOBCYP3A4MAPTMEN1KMT2A | |
| SCHEMBL13840362 | 0.77 | CYP19A1 (0.66) | ALOX15ALOX12CYP19A1 | |
| SCHEMBL28948138 | 0.77 | MAOB (0.78) | MAOBCYP3A4MAPTMEN1KMT2A | |
| SCHEMBL4691708 | 0.75 | CYP3A4 (0.56) | MAOBSTK17BCYP3A4MAPTHPGD | |
| SCHEMBL12164223 | 0.75 | MAOB (0.67) | MAOBHDAC1CYP19A1SIGMAR1HTR1A | |
| SCHEMBL799753 | 0.75 | MAOB (0.58) | MAOBCYP3A4MAPTHPGDMEN1 |
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-2008067451-A1 | NOVEL 3-BENZYLIDINE AND 3-BENZYL SUBSTITUTED CHROMANONES | ITHERX PHARMACEUTICALS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |