Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | GRM6 | O15303 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7874959 | 0.82 | GRIA4 (0.37) | NPC1TDP1L3MBTL1PTGS2PTGS1 | |
| SCHEMBL8951507 | 0.79 | TDP1 (0.40) | NPC1TDP1L3MBTL1PTGS2PTGS1 | |
| SCHEMBL8800287 | 0.71 | GRIA4 (0.49) | NPC1TDP1L3MBTL1PTGS2GRIA4 | |
| SCHEMBL7874965 | 0.71 | PTGS1 (0.45) | NPC1TDP1L3MBTL1PTGS2PTGS1 | |
| SCHEMBL7874964 | 0.71 | L3MBTL1 (0.49) | NPC1TDP1L3MBTL1SMN1; SMN2GRM6 | |
| SCHEMBL8802541 | 0.70 | MMP12 (0.44) | NPC1SMN1; SMN2PTGS2PTGDR2FFAR1 | |
| SCHEMBL7869535 | 0.68 | L3MBTL1 (0.47) | NPC1TDP1L3MBTL1SMN1; SMN2GRM6 | |
| Bicarbonate SCHEMBL28112658 | 0.67 | PTGS2 (0.60) | NPC1L3MBTL1SMN1; SMN2PTGS2MAPT | |
| Bicarbonate SCHEMBL29125500 | 0.67 | PTGS2 (0.60) | NPC1L3MBTL1SMN1; SMN2PTGS2MAPT | |
| SCHEMBL6167767 | 0.65 | PTGS2 (0.63) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6329421-B1 | PHENYL-SUBSTITUTED BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES; NONSTEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2001-12-11 | — | — | US | disclosed |
| EP-0778834-B1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2000-01-26 | — | — | EP | disclosed |
| US-5521213-A | NONSTEROID ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-05-28 | — | — | US | disclosed |