Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.43 |
| ▸ | OXTR | P30559 | 1/20 | 0.43 |
| ▸ | AVPR1A | P37288 | 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 | |
|---|---|---|---|---|
| SCHEMBL13290392 | 0.90 | CA1 (0.55) | — | |
| SCHEMBL861064 | 0.90 | PTGS2 (0.57) | PTGS2PTGS1 | |
| SCHEMBL13290324 | 0.89 | CA1 (0.54) | — | |
| SCHEMBL860836 | 0.87 | PTGS2 (0.58) | FOLH1SLC5A2PTGS2PTGS1 | |
| SCHEMBL10148093 | 0.86 | ALB (0.49) | FOLH1ALBESR1SLC5A2 | |
| SCHEMBL861480 | 0.86 | PTGS2 (0.56) | PTGS2PTGS1 | |
| SCHEMBL16181473 | 0.83 | PTGS2 (0.53) | PTGS2PTGS1 | |
| SCHEMBL14731425 | 0.82 | PTGS2 (0.54) | PTGS2PTGS1 | |
| SCHEMBL861487 | 0.81 | PTGS2 (0.51) | PTGS2PTGS1 | |
| SCHEMBL861474 | 0.81 | CA12 (0.56) | PTGS2PTGS1 |
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 |