Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19263473 | 0.86 | — | — | |
| SCHEMBL10972704 | 0.83 | CYP1A2 (0.46) | CYP1A2CHRNA7CA1CA2CA4 | |
| SCHEMBL2945094 | 0.81 | — | — | |
| SCHEMBL6670754 | 0.79 | — | — | |
| SCHEMBL29065443 | 0.78 | CYP1A2 (0.52) | CYP1A2CHRNA7CA1CA2CA4 | |
| SCHEMBL10615741 | 0.78 | — | — | |
| SCHEMBL130604 | 0.77 | — | — | |
| SCHEMBL11903821 | 0.76 | CYP1A2 (0.41) | CYP1A2CHRNA7CA1CA2CA4 | |
| Arsenic SCHEMBL3954753 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL450376 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2646441-B1 | CARBOCYCLE-SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS | EPIZYME INC (US) | 2015-12-02 | — | — | EP | disclosed |