Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | DRD1 | P21728 | 4/20 | 0.38 |
| ▸ | DRD4 | P21917 | 4/20 | 0.38 |
| ▸ | DRD5 | P21918 | 4/20 | 0.38 |
| ▸ | DRD3 | P35462 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | GLA | P06280 | 4/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19709345 | 0.85 | DRD3 (0.40) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL18378881 | 0.79 | KMT2A (0.38) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL18379188 | 0.78 | KDM4E (0.44) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL18368358 | 0.75 | MAPT (0.36) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL14832400 | 0.74 | KDM4E (0.38) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL14832181 | 0.74 | CYP2C19 (0.40) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL23371762 | 0.73 | ADORA1 (0.37) | KMT2AKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL29503117 | 0.73 | ALDH1A1 (0.54) | KMT2AKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL25121974 | 0.71 | ALDH1A1 (0.37) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL17815188 | 0.68 | KCNQ2 (0.40) | MAOAMAOBDRD2DRD1DRD4 |
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-2022161420-A1 | CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-08-04 | — | — | WO | disclosed |