Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL29720188 | 0.89 | — | — | |
| SCHEMBL314379 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL27912104 | 0.87 | — | — | |
| Cyanide SCHEMBL27862175 | 0.83 | SIRT3 (0.39) | SIRT3TDP1IDO1TDO2ALDH1A1 | |
| Formaldehyde SCHEMBL29175656 | 0.83 | SIRT3 (0.44) | SIRT3TDP1IDO1TDO2ALDH1A1 | |
| SCHEMBL793800 | 0.74 | — | — | |
| SCHEMBL29741232 | 0.70 | — | — | |
| SCHEMBL550773 | 0.70 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27884564 | 0.70 | CA12 (0.36) | SIRT3TDP1CYP1A2CYP2E1CYP3A4 | |
| Hydrochloric Acid SCHEMBL25411609 | 0.69 | — | — |
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-117447475-A | Pyrazolo [4,3-b ] pyridines and imidazo [1,5-a ] pyrimidines as PDE1 inhibitors | H.隆德贝克有限公司 | 2024-01-26 | — | — | CN | disclosed |