Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.38 |
| ▸ | ERN1 | O75460 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3967922 | 0.89 | NPC1 (0.44) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL6141791 | 0.85 | ERN1 (0.50) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL28526519 | 0.84 | ERN1 (0.41) | CDK1ERN1LMNAMAPT | |
| SCHEMBL5673519 | 0.83 | PTGS2 (0.50) | CDK1PTGS2CYP3A4GPR84LMNA | |
| SCHEMBL7251486 | 0.82 | PTGS2 (0.49) | CDK1PTGS2CYP3A4GPR84LMNA | |
| SCHEMBL22763957 | 0.80 | HTT (0.49) | NPC1HPGDMAPK1HTTRAB9A | |
| SCHEMBL8432218 | 0.79 | PTGS2 (0.56) | CDK1PTGS2CYP3A4GPR84ERN1 | |
| SCHEMBL27621298 | 0.79 | PTGS2 (0.56) | CDK1PTGS2CYP3A4GPR84ERN1 | |
| SCHEMBL3965795 | 0.79 | ERN1 (0.42) | CDK1ERN1LMNAMAPT | |
| SCHEMBL20810226 | 0.77 | LMNA (0.47) | CDK1PTGS2CYP3A4GPR84LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108636456-B | Salen metal complex catalyst, and preparation method and application thereof | 广东工业大学 | 2021-03-16 | — | — | CN | claimed |
| CN-108636456-B | Salen metal complex catalyst, and preparation method and application thereof | 广东工业大学 | 2021-03-16 | — | — | CN | disclosed |