Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | TNKS | O95271 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7090047 | 1.00 | PTGS2 (0.60) | PTGS2ALDH1A1HPGDHSD17B10CA12 | |
| SCHEMBL7092623 | 0.86 | PTGS2 (0.60) | PTGS2ALDH1A1HPGDHSD17B10PTGS1 | |
| SCHEMBL7090889 | 0.85 | HSD17B10 (0.66) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL7093919 | 0.80 | ALDH1A1 (0.55) | PTGS2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL7091477 | 0.80 | POLB (0.56) | PTGS2ALDH1A1HPGDHSD17B10TNKS | |
| SCHEMBL7092828 | 0.80 | ALDH1A1 (0.55) | PTGS2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL7093329 | 0.76 | HSD17B10 (0.51) | PTGS2ALDH1A1HPGDHSD17B10PTGS1 | |
| SCHEMBL7094140 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HPGDHSD17B10TNKS | |
| SCHEMBL7093922 | 0.76 | ALDH1A1 (0.51) | PTGS2ALDH1A1HPGDHSD17B10PTGS1 | |
| SCHEMBL7090696 | 0.76 | CA2 (0.66) | PTGS2ALDH1A1HPGDHSD17B10CA12 |
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-2003084935-A2 | DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES | ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) | 2003-10-16 | — | — | WO | claimed |
| WO-2003084935-A2 | DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES | ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) | 2003-10-16 | — | — | WO | disclosed |