Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | PLAU | P00749 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | F12 | P00748 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12438889 | 0.83 | RAB9A (0.49) | CNR2RAB9APLAUCYP2A6F12 | |
| SCHEMBL5084291 | 0.79 | CNR2 (0.70) | CNR2RAB9APLAUCYP2A6F12 | |
| SCHEMBL31357187 | 0.79 | CNR2 (0.70) | CNR2RAB9APLAUCYP2A6F12 | |
| SCHEMBL8250524 | 0.78 | CYP2A6 (0.52) | CNR2RAB9APLAUCYP2A6F12 | |
| Water SCHEMBL27550989 | 0.77 | CNR2 (0.68) | CNR2RAB9APLAUCYP2A6F12 | |
| SCHEMBL9024733 | 0.77 | CNR2 (0.46) | CNR2RAB9APLAUCYP2A6F12 | |
| SCHEMBL30075132 | 0.76 | RAB9A (0.49) | CNR2RAB9APLAUCYP2A6F12 | |
| SCHEMBL287165 | 0.76 | RAB9A (0.56) | CNR2RAB9APLAUCYP2A6F12 | |
| SCHEMBL18533190 | 0.75 | PLAU (0.44) | CNR2RAB9APLAUCYP2A6F12 | |
| SCHEMBL20867340 | 0.75 | PLAU (0.45) | CNR2RAB9APLAUCYP2A6F12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113527186-B | Asymmetric catalytic synthesis method of chiral alpha-azaarene tertiary carbon center compound | 河南工业大学 | 2023-04-14 | — | — | CN | disclosed |
| CN-113248422-B | Chiral alpha-aza-arene quaternary carbon center compound, and preparation method and application thereof | 河南工业大学 | 2022-07-12 | — | — | CN | disclosed |
| CN-113527186-A | Asymmetric catalytic synthesis method of chiral alpha-azaarene tertiary carbon center compound | 河南工业大学 | 2021-10-22 | — | — | CN | disclosed |
| CN-113248422-A | Chiral alpha-azaarene quaternary carbon center compound, and preparation method and application thereof | 河南工业大学 | 2021-08-13 | — | — | CN | disclosed |