Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 16/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8974159 | 0.93 | PTGS2 (0.43) | CA1CA2CA5ACA5BCA4 | |
| SCHEMBL8974748 | 0.89 | CA2 (0.41) | CA1CA2CA5ACA5BCA4 | |
| SCHEMBL8974747 | 0.88 | PTGS2 (0.42) | CA1CA2CA5ACA5BCA4 | |
| SCHEMBL8974933 | 0.87 | KIF11 (0.47) | CA1CA2CA4CA9PTGS2 | |
| SCHEMBL8974356 | 0.86 | CA2 (0.43) | CA1CA2CA5ACA5BCA4 | |
| SCHEMBL8974245 | 0.86 | PTGS2 (0.51) | CA1CA2CA9PTGS2MAOA | |
| SCHEMBL8974602 | 0.85 | CA2 (0.44) | CA1CA2CA5ACA5BCA4 | |
| SCHEMBL8974698 | 0.84 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL8974206 | 0.83 | KIF11 (0.47) | CA1CA2CA9PTGS2PTGS1 | |
| SCHEMBL8974183 | 0.82 | CA2 (0.41) | CA1CA2CA5ACA5BCA4 |
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 2 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 |
| US-5418254-A | Side effect reduction | G. D. SEARLE & CO. (US) | 1995-05-23 | — | — | US | disclosed |