Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5805708 | 0.90 | POLB (0.45) | PTGS1USP2ALDH1A1CYP1A2POLB | |
| SCHEMBL5808468 | 0.88 | GAA (0.48) | PTGS1CYP1A2CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL5805699 | 0.84 | PTGS2 (0.54) | PTGS1USP2ALDH1A1CYP1A2POLB | |
| SCHEMBL5805625 | 0.82 | PTGS2 (0.38) | PTGS1POLBHPGDSMN1; SMN2MAPT | |
| SCHEMBL5808398 | 0.80 | PTGS2 (0.53) | PTGS1MAPTPTGS2 | |
| SCHEMBL5809858 | 0.78 | PTGS1 (0.42) | PTGS1USP2ALDH1A1CYP1A2POLB | |
| SCHEMBL5808478 | 0.78 | PTGS1 (0.49) | PTGS1USP2ALDH1A1CYP1A2POLB | |
| SCHEMBL5805662 | 0.77 | PTGS2 (0.38) | PTGS1USP2ALDH1A1CYP1A2POLB | |
| SCHEMBL5808486 | 0.76 | PTGS2 (0.36) | PTGS1MAPTPTGS2 | |
| SCHEMBL5806535 | 0.76 | POLB (0.41) | PTGS1ALDH1A1POLBCYP2C9HPGD |
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 |