Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 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 | |
|---|---|---|---|---|
| SCHEMBL1068740 | 0.85 | CA12 (0.50) | PTGS2PTGS1CA2CA1CA5A | |
| Hydrochloric Acid SCHEMBL16015050 | 0.84 | CA12 (0.49) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL1068744 | 0.82 | PTGS1 (0.62) | PTGS2PTGS1CA2CA1CA5A | |
| SCHEMBL4733933 | 0.81 | CA2 (0.61) | PTGS2PTGS1CA2CA1CA5A | |
| SCHEMBL1069772 | 0.81 | CA2 (0.51) | CA2CA1CA5ACA5BCA12 | |
| Hydrochloric Acid SCHEMBL16015053 | 0.80 | PTGS1 (0.60) | PTGS2PTGS1CA2CA1CA5A | |
| SCHEMBL30434205 | 0.80 | CA2 (0.64) | PTGS2PTGS1CA2CA1CA5A | |
| SCHEMBL6794823 | 0.78 | CA1 (0.66) | PTGS2PTGS1CA2CA1CA12 | |
| SCHEMBL2452806 | 0.77 | CA1 (0.41) | PTGS2PTGS1CA2CA1CA5A | |
| SCHEMBL7211494 | 0.77 | CA2 (0.53) | PTGS2PTGS1CA2CA1CA5A |
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 |
|---|---|---|---|---|---|---|---|
| US-6613804-B2 | Treatment of hypertension, cardiovascular disease, pulmonary hypertension, erythropoietin-mediated vasoconstriction, endotoxin shock, pulmonary hypertension, anaphylactic shock and hemorrhagic shock | ENCYSIVE PHARMACEUTICALS, INC. | 2003-09-02 | — | — | US | disclosed |