Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 6/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.38 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23005583 | 0.81 | AAK1 (0.57) | AAK1IDO1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL23005715 | 0.80 | AAK1 (0.43) | AAK1IDO1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL23005553 | 0.76 | AAK1 (0.47) | AAK1IDO1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17493817 | 0.73 | AAK1 (0.47) | AAK1IDO1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL13435561 | 0.71 | AAK1 (0.63) | AAK1IDO1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23005703 | 0.70 | AAK1 (0.59) | AAK1IDO1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL21034171 | 0.70 | MEN1 (0.57) | AAK1IDO1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21035092 | 0.69 | IDO1 (0.57) | AAK1IDO1CACNA1HCACNA1GCACNA1C | |
| SCHEMBL23005627 | 0.69 | IDO1 (0.38) | AAK1IDO1SCN10ACACNA1GGRIN1 | |
| SCHEMBL17493816 | 0.68 | AAK1 (0.47) | AAK1IDO1CYP1A2CYP2E1CYP3A4 |
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-2021027724-A1 | IMMUNOMODULATOR | 成都先导药物开发股份有限公司 | 2021-02-18 | — | — | WO | disclosed |