Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | NAMPT | P43490 | 2/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.46 |
| ▸ | FPR3 | P25089 | 1/20 | 0.45 |
| ▸ | FPR2 | P25090 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1163649 | 0.89 | NAMPT (0.55) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL1066363 | 0.87 | HDAC8 (0.57) | CA1CA2HDAC8HDAC3NCOR2 | |
| SCHEMBL1163761 | 0.87 | CA1 (0.54) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL31390514 | 0.87 | NAMPT (0.52) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL4456279 | 0.87 | CA1 (0.48) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL10061137 | 0.86 | CA1 (0.58) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL24891964 | 0.86 | CA1 (0.52) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL1163298 | 0.85 | NAMPT (0.53) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL22527035 | 0.85 | S1PR1 (0.51) | CA1CA2NAMPTCYP3A4MAPT | |
| SCHEMBL22526832 | 0.83 | CA1 (0.49) | CA1CA2NAMPTCYP3A4MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2464967-B1 | METHODS FOR THE IDENTIFICATION AND CHARACTERIZATION OF HDAC INTERACTING COMPOUNDS | CELLZOME AG (DE) | 2013-06-12 | — | — | EP | disclosed |
| US-20130071854-A1 | METHODS FOR THE IDENTIFICATION AND CHARACTERIZATION OF HDAC INTERACTING COMPOUNDS | CELLZOME GMBH (DE) | 2013-03-21 | — | — | US | disclosed |
| EP-2464967-A1 | METHODS FOR THE IDENTIFICATION AND CHARACTERIZATION OF HDAC INTERACTING COMPOUNDS | CELLZOME AG (DE) | 2012-06-20 | — | — | EP | disclosed |
| WO-2011018241-A1 | METHODS FOR THE IDENTIFICATION AND CHARACTERIZATION OF HDAC INTERACTING COMPOUNDS | CELLZOME AG (DE) | 2011-02-17 | — | — | WO | disclosed |