Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7108267 | 0.81 | PTGS2 (0.46) | ACLY | |
| SCHEMBL7154393 | 0.73 | MAOA (0.42) | MAOAACLYMAOBNPC1RAB9A | |
| SCHEMBL7601925 | 0.66 | MAOA (0.42) | MAOAMAOBCYP2A6CYP2E1CYP3A4 | |
| SCHEMBL7254196 | 0.65 | MAPK13 (0.39) | ALDH1A1 | |
| SCHEMBL7154383 | 0.65 | MAOA (0.41) | MAOAACLYMAPTMAOBNPC1 | |
| SCHEMBL29394740 | 0.63 | CYP2A6 (0.61) | MAPTNPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL7255519 | 0.62 | KDM4E (0.43) | MAPTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL18312170 | 0.61 | CYP11B1 (0.59) | MAPTNPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL13393530 | 0.61 | NPC1 (0.64) | MAOAPDE3BPDE3AMAPTMAOB | |
| SCHEMBL16685271 | 0.60 | CYP2A6 (0.54) | ACLYMAPTNPC1TP53RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1299372-A1 | PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002002547-A1 | PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA & CO. (CA) | 2002-01-10 | — | — | WO | disclosed |