Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 10/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.53 |
| ▸ | HPGD | P15428 | 5/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 9/20 | 0.52 |
| ▸ | NPC1 | O15118 | 8/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.52 |
| ▸ | RELA | Q04206 | 3/20 | 0.52 |
| ▸ | HBB | P68871 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8095872 | 0.93 | ALDH1A1 (0.55) | PTGS2KDM4EL3MBTL1NPSR1HTT | |
| SCHEMBL8101120 | 0.84 | ALDH1A1 (0.51) | PTGS2L3MBTL1NPSR1ALDH1A1LMNA | |
| SCHEMBL8094729 | 0.84 | PTGS2 (0.49) | PTGS2KDM4EL3MBTL1NPSR1HTT | |
| SCHEMBL8520426 | 0.83 | ALDH1A1 (0.52) | PTGS2KDM4EL3MBTL1NPSR1HTT | |
| SCHEMBL8092804 | 0.82 | MAPK13 (0.59) | PTGS2ALDH1A1LMNARAB9APTGS1 | |
| SCHEMBL8085735 | 0.81 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL8095596 | 0.81 | PTGS2 (0.46) | PTGS2ALDH1A1LMNAPTGS1 | |
| SCHEMBL8520425 | 0.80 | ALDH1A1 (0.50) | PTGS2KDM4EL3MBTL1NPSR1HTT | |
| SCHEMBL8100740 | 0.79 | PTGS2 (0.58) | PTGS2PTGS1 | |
| SCHEMBL8086624 | 0.79 | PTGS2 (0.56) | PTGS2ALDH1A1LMNAPTGS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808304-B1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-12-27 | — | — | EP | disclosed |
| US-5916905-A | ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS | G. D. SEARLE & CO. (US) | 1999-06-29 | — | — | US | disclosed |
| US-5686470-A | 2, 3-substituted pyridines for the treatment of inflammation | WEIER RICHARD M (US) | 1997-11-11 | — | — | US | disclosed |