Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21543811 | 0.84 | MAOA (0.55) | MAOAMAOBPLA2G2APTPN11ALPL | |
| SCHEMBL3230860 | 0.83 | KDM4E (0.61) | PLA2G2AMAPTALDH1A1KDM4EHPGD | |
| SCHEMBL13162403 | 0.82 | MAOA (0.53) | MAOAMAOBPLA2G2APTPN11ALPL | |
| SCHEMBL8085882 | 0.82 | MAOA (0.60) | MAOAMAOBPLA2G2APTPN11 | |
| SCHEMBL12587312 | 0.82 | CA12 (0.56) | MAOAMAOBPLA2G2APTPN11ALPL | |
| SCHEMBL27141409 | 0.81 | PLA2G2A (0.46) | MAOAMAOBPLA2G2AMAPTALDH1A1 | |
| SCHEMBL14473947 | 0.81 | MAOA (0.52) | MAOAMAOBPLA2G2APTPN11ALPL | |
| SCHEMBL12687133 | 0.81 | MAOA (0.52) | MAOAMAOBPLA2G2APTPN11ALPL | |
| SCHEMBL4257305 | 0.81 | ALDH1A1 (0.56) | MAOAMAOBPLA2G2APTPN11ALPL | |
| SCHEMBL16836640 | 0.81 | MAOA (0.62) | MAOAMAOBPTPN11 |
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-2012102985-A1 | ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV | GLAXOSMITHKLINE LLC (US) | 2012-08-02 | — | — | WO | disclosed |