Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 13/20 | 0.41 |
| ▸ | CA9 | Q16790 | 11/20 | 0.41 |
| ▸ | CA12 | O43570 | 10/20 | 0.41 |
| ▸ | CA1 | P00915 | 9/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8974275 | 0.88 | PTGS2 (0.43) | PTGS2PTGS1 | |
| SCHEMBL8974305 | 0.81 | CA2 (0.64) | CA2CA9CA12CA1CA3 | |
| SCHEMBL9119234 | 0.81 | PTGS2 (0.45) | CA2CA9CA12CA1CA3 | |
| SCHEMBL9117271 | 0.79 | PTGS2 (0.40) | CA2CA9CA12CA1CA3 | |
| SCHEMBL9117759 | 0.79 | PTGS2 (0.40) | CA2CA9CA12CA1CA3 | |
| SCHEMBL8654788 | 0.76 | PTGS2 (0.55) | CA2CA9CA12CA1CA3 | |
| SCHEMBL8974091 | 0.76 | PTGS2 (0.56) | CA2CA9CA12CA1CA3 | |
| SCHEMBL6726436 | 0.75 | CA2 (0.56) | CA2CA9CA12CA1CA3 | |
| SCHEMBL8974581 | 0.73 | CA2 (0.57) | CA2CA9CA12CA1PTGS2 | |
| SCHEMBL6728454 | 0.73 | PTGS2 (0.69) | PTGS2PTGS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5576339-A | Pyridyl substituted cyclopentadienes for the treatment of inflamation | HUANG HORNG-CHIH (US) | 1996-11-19 | — | — | US | disclosed |
| WO-1995030656-A1 | SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |
| US-5418254-A | Side effect reduction | G. D. SEARLE & CO. (US) | 1995-05-23 | — | — | US | disclosed |