Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.41 |
| ▸ | CDK1 | P06493 | 4/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.41 |
| ▸ | GSK3A | P49840 | 3/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 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 | |
|---|---|---|---|---|
| SCHEMBL4957792 | 0.85 | CCNB2 (0.41) | GSK3BCDK1CCNB2CCNB1GSK3A | |
| SCHEMBL5150592 | 0.82 | ALDH1A1 (0.36) | METAP2RAB9AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL6444360 | 0.82 | ALDH1A1 (0.36) | METAP2RAB9AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL4957820 | 0.79 | CDK1 (0.36) | GSK3BCDK1CCNB2CCNB1GSK3A | |
| SCHEMBL4958426 | 0.78 | RARB (0.41) | GSK3BCDK1CCNB2CCNB1GSK3A | |
| SCHEMBL4958956 | 0.76 | CCNB2 (0.35) | GSK3BCDK1CCNB2CCNB1GSK3A | |
| SCHEMBL6441497 | 0.72 | ALDH1A1 (0.53) | RAB9AALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL6441172 | 0.71 | ALDH1A1 (0.41) | RAB9AALDH1A1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL6441245 | 0.71 | MAPT (0.45) | GSK3BRAB9AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL6440359 | 0.71 | ALDH1A1 (0.41) | GSK3BGSK3ARAB9AALDH1A1SMN1; SMN2 |
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-1542972-A4 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-01-23 | — | — | EP | disclosed |
| EP-1542972-A2 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-22 | — | — | EP | disclosed |
| WO-2004010945-A2 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-02-05 | — | — | WO | disclosed |