Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | GOT1 | P17174 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6241871 | 0.87 | — | — | |
| SCHEMBL18854185 | 0.87 | CYP1A2 (0.44) | CYP1A2CTDSP1P2RX7VNN1CES1 | |
| SCHEMBL3079246 | 0.82 | CYP1A2 (0.47) | CYP1A2CTDSP1P2RX7VNN1CES1 | |
| SCHEMBL7718075 | 0.79 | CYP1A2 (0.40) | CYP1A2CTDSP1P2RX7VNN1CES1 | |
| SCHEMBL4722142 | 0.79 | CYP1A2 (0.40) | CYP1A2CTDSP1P2RX7VNN1CES1 | |
| SCHEMBL29221868 | 0.79 | HRH1 (0.48) | CYP1A2CTDSP1P2RX7VNN1GOT1 | |
| SCHEMBL20099842 | 0.79 | CYP1A2 (0.43) | CYP1A2CTDSP1P2RX7VNN1CES1 | |
| SCHEMBL4171814 | 0.79 | KCNH2 (0.48) | CYP1A2CTDSP1HRH1CHRM1KCNH2 | |
| SCHEMBL344825 | 0.78 | — | — | |
| SCHEMBL655646 | 0.78 | KCNH2 (0.57) | CYP1A2CTDSP1KCNH2 |
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-2002087587-A2 | 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS | CELLTECH R & D LIMITED (GB) | 2002-11-07 | — | — | WO | disclosed |