Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA4 | P22748 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5805625 | 0.85 | PTGS2 (0.38) | PTGS2PTGS1NQO2MTNR1AMTNR1B | |
| SCHEMBL5805699 | 0.82 | PTGS2 (0.54) | PTGS2PTGS1NQO2MTNR1AMTNR1B | |
| SCHEMBL5808398 | 0.81 | PTGS2 (0.53) | PTGS2PTGS1NQO2MTNR1AMTNR1B | |
| SCHEMBL5805662 | 0.79 | PTGS2 (0.38) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL5805770 | 0.79 | PTGS2 (0.36) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL5809601 | 0.79 | PTGS2 (0.55) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL5808488 | 0.76 | PTGS1 (0.55) | PTGS2PTGS1MAPT | |
| SCHEMBL8889810 | 0.75 | POLB (0.39) | MTNR1AMTNR1BMAPT | |
| SCHEMBL4695816 | 0.75 | PTGS2 (0.42) | PTGS2PTGS1NQO2MTNR1AMTNR1B | |
| SCHEMBL5808468 | 0.75 | GAA (0.48) | PTGS2PTGS1NQO2MTNR1AMTNR1B |
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 |