Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | PNMT | P11086 | 4/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2061996 | 0.92 | TDP1 (0.49) | GRIN1GRIN2BATAD2CYP1A2PNMT | |
| SCHEMBL8128306 | 0.89 | ATAD2 (0.61) | GRIN1GRIN2BATAD2CYP1A2PNMT | |
| SCHEMBL10129647 | 0.81 | PPARG (0.48) | GRIN1GRIN2BALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL2063017 | 0.81 | CYP1A2 (0.41) | GRIN1GRIN2BATAD2CYP1A2PNMT | |
| SCHEMBL2061799 | 0.79 | ACHE (0.41) | GRIN1GRIN2BCYP1A2PNMTADRA2A | |
| SCHEMBL2062658 | 0.79 | ACHE (0.41) | GRIN1GRIN2BCYP1A2PNMTADRA2A | |
| SCHEMBL495889 | 0.79 | GRIN1 (0.46) | GRIN1GRIN2BPOLBAPEX1CASP6 | |
| SCHEMBL2061813 | 0.79 | CASP6 (0.41) | GRIN1GRIN2BATAD2CYP1A2PNMT | |
| SCHEMBL4106672 | 0.78 | GAA (0.53) | GRIN1GRIN2BATAD2CYP1A2PNMT | |
| SCHEMBL15403488 | 0.78 | DPP7 (0.45) | GRIN1GRIN2BCYP1A2PNMTADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1955697-B1 | 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER | ASTELLAS PHARMA INC (JP) | 2012-05-02 | — | — | EP | disclosed |