Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4347484 | 0.80 | ALDH1A1 (0.45) | GABRA1GABRB2ABCB11ALDH1A1NR3C1 | |
| SCHEMBL9390336 | 0.77 | BRD4 (0.42) | GABRA1GABRB2ABCB11ALDH1A1NR3C1 | |
| SCHEMBL6404034 | 0.75 | PARP1 (0.38) | GABRA1GABRB2ALDH1A1HPGDHRH4 | |
| SCHEMBL4067239 | 0.75 | CCR1 (0.43) | GABRA1GABRB2ABCB11ALDH1A1NR3C1 | |
| SCHEMBL28427061 | 0.74 | MAPK8 (0.42) | GABRA1GABRB2ABCB11ALDH1A1NR3C1 | |
| SCHEMBL45869 | 0.72 | KCNH2 (0.52) | GABRA1GABRB2HRH4KCNH2PARP1 | |
| SCHEMBL558416 | 0.71 | ABCB11 (0.38) | GABRA1GABRB2ABCB11ALDH1A1NR3C1 | |
| SCHEMBL30141001 | 0.71 | ABCB11 (0.38) | GABRA1GABRB2ABCB11ALDH1A1NR3C1 | |
| SCHEMBL21597805 | 0.70 | GABRA1 (0.35) | GABRA1GABRB2ABCB11ALDH1A1NR3C1 | |
| SCHEMBL11564452 | 0.70 | KCNH2 (0.50) | GABRA1GABRB2HRH4KCNH2PARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009010871-A2 | PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR | ADDEX PHARMA S.A. (CH) | 2009-01-22 | — | — | WO | disclosed |