Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.57 |
| ▸ | IDO1 | P14902 | 4/20 | 0.54 |
| ▸ | SCN10A | Q9Y5Y9 | 10/20 | 0.53 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23005682 | 0.81 | AAK1 (0.47) | AAK1IDO1SCN10APDE10ACACNA1H | |
| SCHEMBL23005553 | 0.81 | AAK1 (0.47) | AAK1IDO1SCN10ACYP1A2CYP2E1 | |
| SCHEMBL13435561 | 0.80 | AAK1 (0.63) | AAK1IDO1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23005703 | 0.80 | AAK1 (0.59) | AAK1IDO1CACNA1HCYP1A2CYP2E1 | |
| SCHEMBL12190473 | 0.78 | SCN10A (0.58) | SCN10APDE10AKCNH2METAP2 | |
| SCHEMBL23005715 | 0.77 | AAK1 (0.43) | AAK1IDO1SCN10ACYP1A2CYP2E1 | |
| SCHEMBL15945343 | 0.77 | SCN10A (0.62) | SCN10APDE10AKCNH2METAP2 | |
| SCHEMBL21035092 | 0.76 | IDO1 (0.57) | AAK1IDO1PDE10ACACNA1H | |
| SCHEMBL21034171 | 0.76 | MEN1 (0.57) | AAK1IDO1PDE10ACACNA1HCYP1A2 | |
| SCHEMBL6759257 | 0.75 | IDO1 (0.68) | AAK1IDO1 |
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 |