Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 7/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28358642 | 0.81 | ALDH1A1 (0.41) | BRD4ALDH1A1MAOAMAOB | |
| SCHEMBL28354488 | 0.80 | MAOB (0.52) | SMN1; SMN2ALDH1A1MAPTMAOAMAOB | |
| SCHEMBL28355136 | 0.79 | AHR (0.42) | BRD4ALDH1A1MAPTGAAMAOA | |
| SCHEMBL28354633 | 0.78 | BRD4 (0.49) | SMN1; SMN2RAB9ANPC1BRD4ALDH1A1 | |
| SCHEMBL28358735 | 0.72 | CMA1 (0.42) | ALDH1A1MAPTGAAMAOAMAOB | |
| SCHEMBL8873356 | 0.70 | ACHE (0.41) | GRIN2BALDH1A1KMT2A | |
| SCHEMBL4304359 | 0.69 | EPHX2 (0.62) | GRIN2BHTR1ADRD2HTR2AHTR2C | |
| SCHEMBL28358437 | 0.68 | MMP13 (0.47) | SMN1; SMN2RAB9ANPC1HPGDALDH1A1 | |
| SCHEMBL5460664 | 0.68 | CRBN (0.53) | RAB9ANPC1GRIN2BMAPTHTR1A | |
| SCHEMBL28882918 | 0.67 | CDK5 (0.45) | SMN1; SMN2RAB9ANPC1BRD4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106749045-B | D-amino acid oxidase inhibitor and preparation method and application thereof | 上海交通大学 | 2020-02-14 | — | — | CN | disclosed |