Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 15/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13909529 | 0.82 | CYP2D6 (0.40) | CXCR4CYP2D6CHRM3HDAC1HDAC6 | |
| SCHEMBL3950796 | 0.82 | HDAC1 (0.43) | CXCR4CYP2D6HDAC1HDAC6 | |
| SCHEMBL14071365 | 0.80 | CYP2D6 (0.42) | CXCR4CYP2D6HDAC1HDAC6 | |
| SCHEMBL4350910 | 0.78 | CXCR4 (0.42) | CXCR4CYP2D6 | |
| SCHEMBL1698206 | 0.78 | OPRL1 (0.41) | CXCR4CYP2D6CHRM3HDAC1HDAC6 | |
| SCHEMBL3948666 | 0.77 | HDAC1 (0.40) | CXCR4CYP2D6HDAC1HDAC6 | |
| SCHEMBL3952160 | 0.77 | HDAC1 (0.40) | CXCR4CYP2D6HDAC1HDAC6 | |
| SCHEMBL27859375 | 0.77 | HDAC1 (0.40) | CXCR4CYP2D6HDAC1HDAC6 | |
| SCHEMBL24858718 | 0.77 | CYP2D6 (0.43) | CXCR4CYP2D6HDAC1HDAC6 | |
| SCHEMBL21202393 | 0.77 | CYP2D6 (0.43) | CXCR4CYP2D6HDAC1HDAC6 |
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-103159676-B | Compounds and application thereof | LU ZHONGLIN | 2015-07-15 | — | — | CN | disclosed |
| CN-103159676-A | Compounds and application thereof | LU ZHONGLIN | 2013-06-19 | — | — | CN | disclosed |