Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 14/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 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 | |
|---|---|---|---|---|
| SCHEMBL3314390 | 0.89 | HDAC1 (0.44) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL3952160 | 0.86 | HDAC1 (0.40) | HDAC1HDAC6CXCR4CYP2D6CYP19A1 | |
| SCHEMBL27859375 | 0.86 | HDAC1 (0.40) | HDAC1HDAC6CXCR4CYP2D6CYP19A1 | |
| SCHEMBL3948666 | 0.86 | HDAC1 (0.40) | HDAC1HDAC6CXCR4CYP2D6CYP19A1 | |
| SCHEMBL14071365 | 0.86 | CYP2D6 (0.42) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL10367296 | 0.83 | CXCR4 (0.51) | CXCR4CYP2D6 | |
| SCHEMBL4350910 | 0.83 | CXCR4 (0.42) | CXCR4CYP2D6 | |
| SCHEMBL24858718 | 0.82 | CYP2D6 (0.43) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL30584967 | 0.82 | CXCR4 (0.46) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL21202393 | 0.82 | CYP2D6 (0.43) | HDAC1HDAC6CXCR4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009022279-A2 | QUINOLINE AS CONTRAST AGENT IN LASER INDUCED FLUORESCENCE (LIF) FOR LESIONS | KONINKLIJKE PHILIPS ELECTRONICS N. V. (NL) | 2009-02-19 | — | — | WO | disclosed |
| WO-2009003164-A1 | COMPOSITIONS COMPRISING INDOLEAMINE 2,3- DIOXYGENASE-2 AND COENZYME Q INHIBITORS AND METHODS OF USE THEREOF | LANKENAU INSTITUTE FOR MEDICAL RESEARCH DEVELOPMENT, INC. (US) | 2008-12-31 | — | — | WO | disclosed |