Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.42 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.42 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21507947 | 0.85 | NPSR1 (0.65) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL3401326 | 0.82 | CYP1A2 (0.74) | CYP1A2CYP2D6CYP2C9CD274ALDH1A1 | |
| SCHEMBL21508466 | 0.81 | NPSR1 (0.60) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL8155922 | 0.80 | HRH3 (0.51) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL3408343 | 0.80 | ALDH1A1 (0.71) | CYP1A2CYP2D6CYP2C9CD274ALDH1A1 | |
| SCHEMBL14311680 | 0.79 | PSMB1 (0.60) | ALDH1A1KDM4EPSMB1PSMB5PSMB2 | |
| SCHEMBL22837224 | 0.76 | CD274 (0.62) | CYP1A2CYP2D6CYP2C9CD274ALDH1A1 | |
| SCHEMBL21416798 | 0.76 | EPHX2 (0.44) | CYP1A2CYP2D6CYP2C9CD274MEN1 | |
| SCHEMBL14452318 | 0.76 | SMN1; SMN2 (0.52) | NPSR1MEN1KMT2APOLB | |
| SCHEMBL18874231 | 0.74 | CD274 (0.59) | CYP1A2CYP2D6CYP2C9CD274ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007018941-A2 | PYRIMIDYL-THIOPHENE DERIVATIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2007-02-15 | — | — | WO | disclosed |