Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 4/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | PARL | Q9H300 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8015301 | 0.80 | HTR1A (0.52) | SMN1; SMN2HIF1AHTR1ADRD1PNMT | |
| Hydrochloric Acid SCHEMBL7509854 | 0.79 | HTR1A (0.51) | SMN1; SMN2HIF1AHTR1ADRD1PNMT | |
| SCHEMBL7799877 | 0.76 | SRD5A1 (0.60) | HIF1AHTR1ADRD1 | |
| SCHEMBL7799881 | 0.76 | SRD5A1 (0.60) | HIF1AHTR1ADRD1 | |
| SCHEMBL2062148 | 0.72 | GRIN1 (0.52) | ALDH1A1SMN1; SMN2HTR1ADRD1PNMT | |
| SCHEMBL2910014 | 0.72 | PNMT (0.42) | ALDH1A1SMN1; SMN2HTR1ADRD1PNMT | |
| SCHEMBL2270966 | 0.72 | HIF1A (0.48) | ALDH1A1HIF1AHTR1ADRD1PNMT | |
| SCHEMBL13012433 | 0.72 | HIF1A (0.48) | ALDH1A1HIF1AHTR1ADRD1PNMT | |
| SCHEMBL13012421 | 0.72 | HIF1A (0.48) | ALDH1A1HIF1AHTR1ADRD1PNMT | |
| SCHEMBL3041124 | 0.71 | SIRT2 (0.63) | ALDH1A1SMN1; SMN2GAAMEN1KMT2A |
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-2222647-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | Cephalon, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2008051547-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | CEPHALON, INC. (US) | 2008-05-02 | — | — | WO | disclosed |