Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | POLR1A | O95602 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7559021 | 0.83 | MERTK (0.37) | — | |
| SCHEMBL5804723 | 0.81 | ALDH1A1 (0.51) | KDM4EALDH1A1GLATSHR | |
| SCHEMBL7559521 | 0.74 | RAB9A (0.53) | MEN1KMT2AL3MBTL1 | |
| SCHEMBL13373331 | 0.74 | PARP1 (0.57) | CYP1A2CYP2D6CYP2C9KDM4EALDH1A1 | |
| SCHEMBL30265367 | 0.74 | HTT (0.61) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL5758424 | 0.73 | GABRR1 (0.40) | KMT2AL3MBTL1 | |
| SCHEMBL17148160 | 0.72 | NPSR1 (0.46) | CYP1A2CYP2D6CYP2C9KDM4EHSD17B10 | |
| SCHEMBL5760079 | 0.71 | TYRO3 (0.43) | — | |
| SCHEMBL29582688 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C9KDM4EHSD17B10 | |
| SCHEMBL5723452 | 0.70 | ADORA2A (0.58) | KDM4EHSD17B10MEN1KMT2A |
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-1317465-A1 | PURINE DERIVATIVES | PFIZER INC. (US) | 2003-06-11 | — | — | EP | claimed |
| WO-2002022630-A1 | PURINE DERIVATIVES | PFIZER LIMITED (GB) | 2002-03-21 | — | — | WO | claimed |
| WO-2003047628-A1 | COMBINATION OF AN ADENOSINE A2A RECEPTOR AGONIST AND AN ADRENERGIC BETA-2 RECEPTOR AGONIST | PFIZER LIMITED (GB) | 2003-06-12 | — | — | WO | disclosed |