Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | CXCR4 | P61073 | 10/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30486101 | 1.00 | HDAC1 (0.52) | HDAC1HDAC6CXCR4CYP2D6CYP3A4 | |
| SCHEMBL14275061 | 0.96 | HDAC1 (0.51) | HDAC1HDAC6CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4123198 | 0.92 | HDAC1 (0.54) | HDAC1HDAC6CXCR4CYP2D6HTT | |
| SCHEMBL4889228 | 0.92 | HDAC1 (0.54) | HDAC1HDAC6CXCR4CYP2D6HTT | |
| SCHEMBL3736077 | 0.92 | HDAC1 (0.54) | HDAC1HDAC6CXCR4CYP2D6HTT | |
| SCHEMBL3996453 | 0.88 | HDAC1 (0.56) | HDAC1HDAC6CXCR4CYP2D6CYP3A4 | |
| SCHEMBL30096620 | 0.86 | HDAC1 (0.55) | HDAC1HDAC6CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4885421 | 0.86 | HDAC1 (0.56) | HDAC1HDAC6CXCR4CYP2D6ADORA2A | |
| SCHEMBL4885407 | 0.86 | HDAC1 (0.56) | HDAC1HDAC6CXCR4CYP2D6ADORA2A | |
| SCHEMBL21784360 | 0.85 | HDAC1 (0.51) | HDAC1HDAC6CXCR4CYP2D6CYP3A4 |
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-116462711-A | Bidentate nitrogen-manganese complex, preparation method thereof, catalyst composition and application | 河北农业大学 | 2023-07-21 | — | — | CN | disclosed |