Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 9/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5809858 | 0.93 | PTGS1 (0.42) | PTGS1PTGS2MAPTPOLBTP53 | |
| SCHEMBL5805699 | 0.88 | PTGS2 (0.54) | PTGS1PTGS2MAPTPOLBTP53 | |
| SCHEMBL5806535 | 0.84 | POLB (0.41) | PTGS1MAPTPOLBLMNAMTNR1A | |
| SCHEMBL5805708 | 0.81 | POLB (0.45) | PTGS1MAPTPOLBTP53SMN1; SMN2 | |
| SCHEMBL5805773 | 0.80 | PTGS2 (0.47) | PTGS1PTGS2MAPTPOLBTP53 | |
| SCHEMBL5805756 | 0.79 | PTGS2 (0.47) | PTGS1PTGS2MAPTTP53MTNR1A | |
| SCHEMBL5808488 | 0.78 | PTGS1 (0.55) | PTGS1PTGS2MAPTPOLBTP53 | |
| Hydrochloric Acid SCHEMBL5805761 | 0.78 | KRAS (0.43) | MAPTPOLBLMNAMTNR1AMTNR1B | |
| SCHEMBL8889810 | 0.77 | POLB (0.39) | MAPTPOLBSMN1; SMN2LMNAMTNR1A | |
| SCHEMBL7761162 | 0.77 | PTGS2 (0.39) | PTGS2MAPTPOLBTP53SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006099416-A1 | 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-09-21 | — | — | WO | claimed |
| WO-2006099416-A1 | 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-09-21 | — | — | WO | disclosed |