Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 10/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4381747 | 0.89 | KMT2A (0.40) | GSK3BRAB9ACYP2D6RPS6KA2GABRA5 | |
| SCHEMBL4377805 | 0.87 | ALDH1A1 (0.45) | ALDH1A1GSK3BRAB9ACHRNB2CHRNA7 | |
| SCHEMBL4391262 | 0.86 | ALDH1A1 (0.45) | ALDH1A1GSK3BNPC1RAB9A | |
| SCHEMBL2066076 | 0.86 | GSK3B (0.47) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL2065496 | 0.86 | GRM5 (0.46) | GSK3BNPC1RAB9A | |
| SCHEMBL2065426 | 0.85 | DRD4 (0.42) | GSK3BNPC1RAB9ARPS6KA2 | |
| SCHEMBL4389917 | 0.84 | HPGDS (0.39) | ALDH1A1GSK3BNPC1RAB9ARPS6KA2 | |
| SCHEMBL4383822 | 0.83 | SCN9A (0.45) | GABRA5 | |
| SCHEMBL4768777 | 0.83 | GSK3B (0.38) | GSK3BCYP2D6RPS6KA2 | |
| SCHEMBL2065105 | 0.82 | GSK3B (0.44) | GSK3BCYP1A2CYP2D6CHRNB2CHRNA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121635-A2 | SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES | Sanofi-Aventis (FR) | 2009-11-25 | — | — | EP | claimed |
| WO-2008078196-A2 | SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2008-07-03 | — | — | WO | claimed |
| EP-1939187-A1 | Substituted heteroaryl pyridopyrimidone derivatives | Sanofi-Aventis (FR) | 2008-07-02 | — | — | EP | claimed |
| EP-1939187-A1 | Substituted heteroaryl pyridopyrimidone derivatives | Sanofi-Aventis (FR) | 2008-07-02 | — | — | EP | disclosed |