Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4564105 | 0.92 | PDE4A (0.37) | TSHRHTR1AHTR1DHTR2CHCRTR2 | |
| SCHEMBL4563416 | 0.91 | LTB4R (0.36) | TSHRHCRTR2HTR2BHCRTR1ALDH1A1 | |
| SCHEMBL4628825 | 0.85 | RARB (0.39) | HCRTR2 | |
| SCHEMBL4447404 | 0.84 | DRD2 (0.40) | HTR2BALDH1A1 | |
| SCHEMBL4597474 | 0.84 | SIGMAR1 (0.37) | TSHRHCRTR2MEN1KMT2A | |
| SCHEMBL4629499 | 0.82 | HSP90AA1 (0.39) | KMT2AALDH1A1GAAL3MBTL1HSP90AA1 | |
| SCHEMBL4564085 | 0.82 | HSP90AA1 (0.39) | MEN1KMT2AALDH1A1GAAL3MBTL1 | |
| SCHEMBL4566254 | 0.81 | PDK2 (0.41) | MEN1KMT2AL3MBTL1 | |
| SCHEMBL4566136 | 0.81 | PDK2 (0.41) | MEN1KMT2AL3MBTL1 | |
| SCHEMBL4627927 | 0.81 | ALDH1A1 (0.37) | HTR2BALDH1A1GAAL3MBTL1HSP90AA1 |
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 |