Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 4/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 4/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4598842 | 0.86 | HCRTR1 (0.31) | HCRTR1HCRTR2ALDH1A1TSHRKDM4E | |
| SCHEMBL4855306 | 0.86 | NR3C1 (0.35) | NR3C1HTR1APKM | |
| SCHEMBL4565861 | 0.85 | MAPT (0.34) | NR3C1 | |
| SCHEMBL4564249 | 0.85 | NR3C1 (0.31) | NR3C1 | |
| SCHEMBL4866562 | 0.85 | HSP90AA1 (0.34) | NR3C1MEN1KMT2ALMNA | |
| SCHEMBL4611109 | 0.85 | FFAR1 (0.31) | HCRTR1HCRTR2NR3C1 | |
| SCHEMBL4564087 | 0.85 | HTR1A (0.31) | HCRTR1HCRTR2HTR1A | |
| SCHEMBL4610332 | 0.83 | TSHR (0.34) | HCRTR1HCRTR2NR3C1CYP3A4CYP1A2 | |
| SCHEMBL4556232 | 0.83 | CYP19A1 (0.34) | ADRA2AADRA2BADRA2CCYP3A4CYP1A2 | |
| SCHEMBL4865539 | 0.83 | CYP19A1 (0.34) | ADRA2AADRA2BADRA2CCYP3A4CYP1A2 |
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 |