Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL196443 | 0.76 | CYP3A4 (0.39) | CYP3A4TDP1ALDH1A1LTA4HTP53 | |
| SCHEMBL911476 | 0.76 | CYP3A4 (0.39) | CYP3A4TDP1ALDH1A1LTA4HTP53 | |
| SCHEMBL8846745 | 0.74 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1LTA4HTP53 | |
| SCHEMBL15103402 | 0.74 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1LTA4HTP53 | |
| SCHEMBL28018587 | 0.74 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1LTA4HTP53 | |
| SCHEMBL911477 | 0.73 | GAA (0.36) | CYP3A4TDP1LTA4HTP53NPSR1 | |
| SCHEMBL11423935 | 0.73 | CYP3A4 (0.36) | CYP3A4TDP1ALDH1A1LTA4HTP53 | |
| SCHEMBL8845876 | 0.73 | CYP3A4 (0.55) | CYP3A4TDP1LTA4HTP53RELA | |
| SCHEMBL3652612 | 0.73 | CYP3A4 (0.36) | CYP3A4TDP1ALDH1A1LTA4HTP53 | |
| SCHEMBL10439950 | 0.73 | CYP3A4 (0.36) | CYP3A4TDP1ALDH1A1LTA4HTP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1408985-A4 | NOVEL PYRIDOPYRIMIDONES AND USES THEREOF | ARIAD PHARMA INC (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1408985-A1 | NOVEL PYRIDOPYRIMIDONES AND USES THEREOF | ARIAD PHARMACEUTICALS, INC. (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2003000270-A1 | NOVEL PYRIDOPYRIMIDONES AND USES THEREOF | ARIAD PHARMACEUTICALS, INC. (US) | 2003-01-03 | — | — | WO | disclosed |