Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.44 |
| ▸ | CA2 | P00918 | 9/20 | 0.44 |
| ▸ | CA9 | Q16790 | 9/20 | 0.44 |
| ▸ | CA12 | O43570 | 7/20 | 0.44 |
| ▸ | CA4 | P22748 | 4/20 | 0.39 |
| ▸ | CA5A | P35218 | 3/20 | 0.39 |
| ▸ | CA6 | P23280 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8974667 | 0.88 | CA1 (0.40) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8974563 | 0.87 | PTGS2 (0.37) | PTGS2PTGS1HTR2AKCNH2 | |
| SCHEMBL8974276 | 0.87 | CA1 (0.39) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8974190 | 0.86 | KIF11 (0.40) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8974178 | 0.83 | CA1 (0.41) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8974506 | 0.82 | CA1 (0.44) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8973747 | 0.81 | PTGS2 (0.55) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8974346 | 0.81 | CA1 (0.40) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8974235 | 0.80 | PTGS2 (0.45) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8974086 | 0.80 | CA1 (0.42) | CA1CA2CA9CA12CA4 |
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 |