Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.43 |
| ▸ | GABRE | P78334 | 1/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.43 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2197487 | 1.00 | ALDH1A1 (0.48) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL13008578 | 0.86 | HDAC3 (0.41) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL29563076 | 0.84 | ALDH1A1 (0.57) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Dioxane SCHEMBL11845412 | 0.78 | ALDH1A1 (0.46) | ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL529997 | 0.78 | DHFR (0.54) | ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL30541879 | 0.78 | DHFR (0.54) | ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL21801769 | 0.78 | DHFR (0.54) | ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL18280143 | 0.76 | CHRNB2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA4MAPK1 | |
| Cyclohexane SCHEMBL28117089 | 0.75 | DHFR (0.52) | ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL11649952 | 0.75 | MGLL (0.50) | ALDH1A1 |
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-2125792-A1 | PURINE DERIVATIVES AS IMMUNOMODULATORS | Smithkline Beecham Corporation (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008101867-A1 | PURINE DERIVATIVES AS IMMUNOMODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-08-28 | — | — | WO | disclosed |