Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.48 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13290405 | 0.90 | PTGS2 (0.52) | PTGS2PLA2G2APTGS1HDAC3HDAC1 | |
| SCHEMBL13290393 | 0.83 | PTGS2 (0.69) | PTGS2PTGS1HDAC3HDAC1HDAC8 | |
| SCHEMBL13286883 | 0.77 | PTGS2 (0.80) | PTGS2PTGS1HDAC3HDAC1HDAC8 | |
| SCHEMBL14351096 | 0.76 | PTGS2 (0.65) | PTGS2PTGS1HDAC3HDAC1HDAC8 | |
| SCHEMBL878348 | 0.74 | PLA2G2A (0.46) | PLA2G2ACA12CA4CA9 | |
| SCHEMBL18517535 | 0.73 | PTGS2 (0.59) | PTGS2 | |
| SCHEMBL18517424 | 0.71 | PTGS2 (0.56) | PTGS2PLA2G2A | |
| SCHEMBL13290394 | 0.71 | PTGS2 (0.49) | PTGS2PLA2G2APTGS1HDAC3HDAC1 | |
| SCHEMBL13290332 | 0.69 | PTGS2 (0.57) | PTGS2PLA2G2APTGS1HDAC3HDAC1 | |
| SCHEMBL10147607 | 0.68 | CA12 (0.50) | PTGS2PLA2G2APTGS1HRH4CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-7736624-B2 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | UNIV VANDERBILT (US) | 2010-06-15 | — | — | US | disclosed |