Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | NRP1 | O14786 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8802541 | 0.82 | MMP12 (0.44) | SLC6A2SLC6A4SLC6A3FFAR1FFAR4 | |
| SCHEMBL7874959 | 0.71 | GRIA4 (0.37) | CTSKNRP1GRIA2GRIA4PTGS2 | |
| SCHEMBL27460927 | 0.68 | SLC6A4 (0.65) | SLC6A2SLC6A4SLC6A3MMP2MMP9 | |
| SCHEMBL5723308 | 0.66 | FFAR1 (0.49) | SLC6A2SLC6A4SLC6A3FFAR1FFAR4 | |
| SCHEMBL8800287 | 0.65 | GRIA4 (0.49) | CTSKGRIA2GRIA4PTGS2ALDH1A1 | |
| SCHEMBL11759685 | 0.65 | SLC6A4 (0.39) | SLC6A2SLC6A4SLC6A3SMN1; SMN2KDM4E | |
| SCHEMBL11759425 | 0.64 | SLC6A4 (0.44) | SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPT | |
| SCHEMBL11758024 | 0.64 | SLC6A4 (0.41) | SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPT | |
| SCHEMBL19114473 | 0.63 | PTGS2 (0.52) | SLC6A2SLC6A4SLC6A3PTGS2PTGS1 | |
| SCHEMBL11755568 | 0.63 | SLC6A4 (0.54) | SLC6A2SLC6A4SLC6A3MAPTALDH1A1 |
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-0778834-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1997-06-18 | — | — | EP | disclosed |
| US-5521213-A | NONSTEROID ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-05-28 | — | — | US | disclosed |
| WO-1996006840-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1996-03-07 | — | — | WO | disclosed |