Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.62 |
| ▸ | HTR1A | P08908 | 1/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | MC4R | P32245 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Rofecoxib SCHEMBL4434618 | 0.77 | PTGS2 (1.00) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 | |
| SCHEMBL5858026 | 0.77 | PTGS2 (1.00) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 | |
| Rofecoxib SCHEMBL3050 | 0.77 | PTGS2 (1.00) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 | |
| Rofecoxib SCHEMBL14163950 | 0.77 | PTGS2 (1.00) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 | |
| Rofecoxib SCHEMBL28953295 | 0.76 | PTGS2 (0.97) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 | |
| Rofecoxib SCHEMBL7860859 | 0.76 | PTGS2 (0.97) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 | |
| Rofecoxib SCHEMBL6598209 | 0.76 | PTGS2 (0.97) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 | |
| SCHEMBL4390990 | 0.74 | PTGS2 (0.58) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 | |
| SCHEMBL7577906 | 0.73 | PTGS2 (0.61) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 | |
| SCHEMBL5071823 | 0.72 | KMT2A (1.00) | PTGS2PTGS1ALDH1A1ABCB11MT-CO2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0863891-A1 | (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1998-09-16 | — | — | EP | claimed |
| WO-1997014691-A1 | (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-04-24 | — | — | WO | claimed |