Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.80 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.76 |
| ▸ | CNR2 | P34972 | 1/20 | 0.76 |
| ▸ | MAPT | P10636 | 4/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.76 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.76 |
| ▸ | LMNA | P02545 | 2/20 | 0.75 |
| ▸ | GAA | P10253 | 1/20 | 0.75 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.74 |
| ▸ | MEN1 | O00255 | 1/20 | 0.74 |
| ▸ | PTGES | O14684 | 1/20 | 0.74 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.74 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.74 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.74 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.74 |
| ▸ | ALB | P02768 | 1/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.74 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL9657228 | 0.92 | PTGS1 (0.85) | PTGS1PTGS2AKR1C3CNR2MAPT | |
| SCHEMBL20259394 | 0.90 | PTGS2 (0.83) | PTGS1PTGS2AKR1C3CNR2MAPT | |
| SCHEMBL14405006 | 0.89 | PTGS2 (1.00) | PTGS1PTGS2AKR1C3CNR2MAPT | |
| Oxametacin SCHEMBL29378857 | 0.89 | PTGS1 (1.00) | PTGS1PTGS2AKR1C3CNR2MAPT | |
| Oxametacin SCHEMBL24552 | 0.89 | PTGS1 (1.00) | PTGS1PTGS2AKR1C3CNR2MAPT | |
| Indomethacin SCHEMBL28202796 | 0.88 | PTGS2 (0.92) | PTGS1PTGS2AKR1C3CNR2MAPT | |
| SCHEMBL5534201 | 0.88 | PTGS2 (0.84) | PTGS1PTGS2AKR1C3CNR2MAPT | |
| SCHEMBL15774078 | 0.88 | PTGS2 (0.84) | PTGS1PTGS2AKR1C3CNR2MAPT | |
| SCHEMBL5112013 | 0.87 | PTGS2 (0.84) | PTGS1PTGS2 | |
| SCHEMBL5107049 | 0.87 | PTGS2 (0.82) | PTGS1PTGS2AKR1C3CNR2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006099416-A1 | 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-09-21 | — | — | WO | disclosed |