Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 4/20 | 0.38 |
| ▸ | RXRA | P19793 | 3/20 | 0.36 |
| ▸ | RXRB | P28702 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL216120 | 0.86 | PTGS2 (0.53) | PTGS2PTGS1 | |
| SCHEMBL7504823 | 0.86 | PTGS2 (0.53) | KMT2APTGS2SMN1; SMN2NPSR1PTGS1 | |
| SCHEMBL8289361 | 0.85 | MAPK14 (0.44) | KMT2APTGS2NR4A2RXRARXRB | |
| SCHEMBL8549078 | 0.76 | PTGS2 (0.40) | KMT2APTGS2NR4A2RXRARXRB | |
| SCHEMBL5089153 | 0.76 | PTGS2 (0.55) | PTGS2NR4A2PTGS1 | |
| SCHEMBL7501957 | 0.74 | PTGS2 (0.54) | PTGS2NR4A2RXRAHPGDSMN1; SMN2 | |
| SCHEMBL17896435 | 0.73 | FABP4 (0.54) | KMT2AHPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17896439 | 0.73 | PTGIR (0.47) | KMT2ANR4A2RXRAHPGDCYP1A2 | |
| SCHEMBL27506688 | 0.71 | PTGS2 (0.49) | PTGS2PTGS1 | |
| SCHEMBL9455596 | 0.71 | PTGIR (0.45) | KMT2ARXRARXRBHPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005018569-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA | PHARMACIA CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |
| WO-2005009354-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY | PHARMACIA CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |
| WO-2005007156-A1 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ANGIOTENSIN II RECEPTOR ANTAGONIST FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE | PHARMACIA CORPORATION (US) | 2005-01-27 | — | — | WO | disclosed |
| WO-2004093811-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SODIUM ION CHANNEL BLOCKER FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE | PHARMACIA CORPORATION (US) | 2004-11-04 | — | — | WO | disclosed |