Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 8/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23001592 | 1.00 | MAOA (0.41) | MAOAMAOBKDM1APDE2ADDB1 | |
| SCHEMBL21452568 | 0.81 | PDE2A (0.40) | KDM1APDE2A | |
| SCHEMBL21452418 | 0.80 | MAOA (0.44) | MAOAMAOBKDM1APDE2ADDB1 | |
| SCHEMBL23001550 | 0.80 | MAOA (0.44) | MAOAMAOBKDM1APDE2ADDB1 | |
| SCHEMBL23001555 | 0.73 | PDE2A (0.39) | PDE2AMAPTMAPK1 | |
| SCHEMBL21452417 | 0.73 | PDE2A (0.39) | PDE2AMAPTMAPK1 | |
| SCHEMBL21452162 | 0.73 | TAS1R3 (0.38) | KDM1AOPRL1 | |
| SCHEMBL21452416 | 0.73 | SLC6A3 (0.44) | MAOAMAOBKDM1APDE2AOPRM1 | |
| SCHEMBL21452371 | 0.71 | CCR2 (0.41) | DDB1CRBNOPRM1SLC6A3MEN1 | |
| SCHEMBL23002326 | 0.70 | KDM1A (0.49) | KDM1AOPRM1OPRL1SLC6A4SLC6A3 |
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-2019192602-A1 | AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海键合医药科技有限公司 | 2019-10-10 | — | — | WO | disclosed |