Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 11/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL21675742 | 0.89 | CHRNA7 (0.58) | CHRNA7PTGS2CA1CA2PTGS1 | |
| Apricoxib SCHEMBL3435344 | 0.81 | CA1 (0.60) | CHRNA7PTGS2CA1CA2PTGS1 | |
| Apricoxib SCHEMBL346028 | 0.81 | CA1 (0.60) | CHRNA7PTGS2CA1CA2PTGS1 | |
| SCHEMBL2464617 | 0.80 | PTGS2 (0.59) | CHRNA7PTGS2CA1CA2PTGS1 | |
| SCHEMBL3031000 | 0.77 | CHRNA7 (0.98) | CHRNA7CA12CA9CYP2D6 | |
| SCHEMBL5312990 | 0.77 | CHRNA7 (0.60) | CHRNA7PTGS2CA1CA2PTGS1 | |
| SCHEMBL2841663 | 0.76 | PTGS2 (0.60) | CHRNA7PTGS2CA1CA2PTGS1 | |
| SCHEMBL5308912 | 0.76 | PTGS2 (0.64) | PTGS2CA1CA2PTGS1CA12 | |
| SCHEMBL17920087 | 0.76 | PTGS2 (0.64) | PTGS2CA1CA2PTGS1CA12 | |
| SCHEMBL4706398 | 0.76 | CA2 (1.00) | PTGS2CA1CA2PTGS1CA12 |
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-3693022-A2 | COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS | Reiley Pharmaceuticals, Inc. (US) | 2020-08-12 | — | — | EP | disclosed |