Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | AS3MT | Q9HBK9 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12182455 | 0.82 | MAOB (0.33) | MAOBMAOAIDO1CYP3A4 | |
| SCHEMBL22780690 | 0.69 | PTPN1 (0.36) | CYP3A4 | |
| SCHEMBL15272394 | 0.67 | MAOB (0.42) | MAOBMAOAACHECYP19A1MRGPRX4 | |
| SCHEMBL633486 | 0.66 | MAOB (0.52) | MAOBMAOAACHECYP19A1IDO1 | |
| SCHEMBL30601044 | 0.66 | MAOB (0.52) | MAOBMAOAACHECYP19A1IDO1 | |
| SCHEMBL3256342 | 0.66 | CARM1 (0.50) | SIGMAR1 | |
| SCHEMBL366865 | 0.66 | MAOB (0.56) | MAOBMAOACYP19A1IDO1MRGPRX4 | |
| Hydrochloric Acid SCHEMBL6320078 | 0.65 | MAOB (0.53) | MAOBMAOAACHECYP19A1IDO1 | |
| SCHEMBL1520696 | 0.64 | IDO1 (0.61) | MAOBMAOAIDO1CYP3A4 | |
| SCHEMBL8011823 | 0.63 | CYP3A4 (0.50) | MAOBMAOAACHECYP19A1IDO1 |
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-2011143772-A1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-24 | — | — | WO | disclosed |