Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.30 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.30 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4858243 | 1.00 | HDAC4 (0.33) | HDAC4HDAC8KIF11NR3C1CYP19A1 | |
| SCHEMBL4855306 | 0.87 | NR3C1 (0.35) | NR3C1 | |
| SCHEMBL4564249 | 0.86 | NR3C1 (0.31) | NR3C1 | |
| SCHEMBL4866562 | 0.86 | HSP90AA1 (0.34) | NR3C1 | |
| SCHEMBL4556232 | 0.84 | CYP19A1 (0.34) | CYP19A1GAAHPGDADRA2AADRA2B | |
| SCHEMBL4865539 | 0.84 | CYP19A1 (0.34) | CYP19A1GAAHPGDADRA2AADRA2B | |
| SCHEMBL4608633 | 0.84 | HSD11B1 (0.33) | NR3C1 | |
| SCHEMBL4555981 | 0.84 | KIF11 (0.35) | HDAC4HDAC8KIF11GAAHPGD | |
| SCHEMBL4864081 | 0.84 | HSD11B1 (0.33) | NR3C1 | |
| SCHEMBL4866323 | 0.84 | KIF11 (0.35) | HDAC4HDAC8KIF11GAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2125825-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079139-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |