Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL30839678 | 0.88 | CA1 (0.42) | ELANECA2CA1CA12CA9 | |
| SCHEMBL30839674 | 0.83 | PTGES2 (0.43) | CA2CA1CA12CA9PDIA6 | |
| SCHEMBL30839681 | 0.82 | CA2 (0.44) | CA2CA1CA12CA9AURKA | |
| SCHEMBL31148848 | 0.82 | PTGES2 (0.40) | CA2CA1CA12CA9PDIA6 | |
| SCHEMBL30839675 | 0.80 | PDIA6 (0.42) | CA2CA1CA12CA9PDIA6 | |
| SCHEMBL30839680 | 0.79 | MCL1 (0.41) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL31314412 | 0.78 | ELANE (0.46) | ELANECA2CA1CA12CA9 | |
| SCHEMBL10692898 | 0.78 | ELANE (0.46) | ELANECA2CA1CA12CA9 | |
| SCHEMBL30839679 | 0.78 | PTGES2 (0.44) | CA2CA1CA12CA9PDIA6 | |
| SCHEMBL30839676 | 0.78 | CA1 (0.40) | CA2CA1CA12CA9PTGES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118772056-A | Method for preparing polysubstituted quinoline compounds through [4+2] cycloaddition reaction | 首都医科大学 | 2024-10-15 | — | — | CN | disclosed |
| CN-117417350-A | Preparation method of bridged ring compound containing dibenzoazacyclooctane structure | 四川大学 | 2024-01-19 | — | — | CN | disclosed |
| CN-117417350-A | Preparation method of bridged ring compound containing dibenzoazacyclooctane structure | 四川大学 | 2024-01-19 | — | — | CN | disclosed |