Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | USP1 | O94782 | 1/20 | 0.38 |
| ▸ | USP8 | P40818 | 1/20 | 0.38 |
| ▸ | OTUB1 | Q96FW1 | 1/20 | 0.38 |
| ▸ | USP36 | Q9P275 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7154393 | 0.82 | MAOA (0.42) | MAOAMAOBRAB9ANPC1ACLY | |
| SCHEMBL7108266 | 0.80 | PTGS2 (0.45) | MAOAMAOBLMNAUSP2USP1 | |
| SCHEMBL5709000 | 0.74 | PTGS2 (0.59) | — | |
| SCHEMBL7024957 | 0.68 | PTGS2 (0.49) | — | |
| SCHEMBL7154386 | 0.65 | MAOA (0.38) | MAOAMAOBALDH1A1MAPTRAB9A | |
| SCHEMBL7372656 | 0.64 | ALOX5 (0.50) | ALDH1A1KDM4EMAPTRAB9AHPGD | |
| SCHEMBL7374057 | 0.63 | NPY5R (0.39) | ALDH1A1KDM4EMAPTRAB9AHPGD | |
| SCHEMBL5890646 | 0.62 | KDM4E (0.52) | ALDH1A1KDM4EMAPTRAB9AHPGD | |
| SCHEMBL3480552 | 0.62 | CYP2A6 (0.54) | ALDH1A1KDM4EMAPTRAB9AHPGD | |
| SCHEMBL31087243 | 0.62 | KDM4E (0.52) | ALDH1A1KDM4EMAPTRAB9AHPGD |
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 |