Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 5/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 7/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 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 | |
|---|---|---|---|---|
| SCHEMBL30370454 | 1.00 | PPARA (0.40) | PPARAAPPHDAC6MEN1KMT2A | |
| SCHEMBL29016559 | 0.85 | MAPT (0.43) | APPMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL30369817 | 0.82 | RAB9A (0.48) | APPHDAC6RAB9ANPC1CYP1A2 | |
| SCHEMBL29016604 | 0.82 | RAB9A (0.48) | APPHDAC6RAB9ANPC1CYP1A2 | |
| SCHEMBL30370793 | 0.81 | KDM4E (0.47) | PPARAHDAC6MEN1KMT2ARAB9A | |
| SCHEMBL29016628 | 0.81 | KDM4E (0.47) | PPARAHDAC6MEN1KMT2ARAB9A | |
| SCHEMBL5074884 | 0.78 | NPC1 (0.48) | PPARAAPPMEN1KMT2ARAB9A | |
| SCHEMBL29016615 | 0.78 | EPHX2 (0.44) | APPHDAC6RAB9ANPC1HTT | |
| SCHEMBL30370207 | 0.78 | EPHX2 (0.44) | APPHDAC6RAB9ANPC1HTT | |
| SCHEMBL29016584 | 0.75 | CYP2C9 (0.45) | APPRAB9ANPC1HTTALDH1A1 |
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-108689942-B | Nitrogen-containing bicyclic compound, and preparation method and application thereof | 广东东阳光药业有限公司 | 2023-06-09 | — | — | CN | disclosed |