Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL7001954 | 1.00 | CA1 (0.44) | CA1CA2CA9CA12CA7 | |
| SCHEMBL7003945 | 0.89 | PTGS2 (0.44) | CA1CA2CA9CA12CA7 | |
| SCHEMBL7003650 | 0.89 | PTGS2 (0.44) | CA1CA2CA9CA12CA7 | |
| SCHEMBL7003381 | 0.87 | PTGES (0.56) | PTGESPTGS1PTGS2PDE3BPDE3A | |
| SCHEMBL7003600 | 0.87 | PTGES (0.56) | PTGESPTGS1PTGS2PDE3BPDE3A | |
| SCHEMBL6487769 | 0.84 | CHRNA7 (0.55) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6478277 | 0.84 | CHRNA7 (0.55) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6476634 | 0.79 | PTGS2 (0.51) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6476911 | 0.79 | PTGS2 (0.51) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6475771 | 0.77 | PTGS2 (0.49) | CA1CA2CA9CA12CA7 |
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-1246825-B1 | FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF | MERCKLE GMBH (DE) | 2003-12-17 | — | — | EP | disclosed |