Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.35 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5150592 | 1.00 | ALDH1A1 (0.36) | ALDH1A1HPGDSMN1; SMN2LMNAGAA | |
| SCHEMBL6441183 | 0.84 | PTGS2 (0.43) | ALDH1A1KDM4ERAB9ANPC1 | |
| SCHEMBL4960913 | 0.82 | GSK3B (0.41) | ALDH1A1HPGDSMN1; SMN2LMNAKDM4E | |
| SCHEMBL6440473 | 0.78 | GAA (0.43) | ALDH1A1HPGDSMN1; SMN2LMNAGAA | |
| SCHEMBL6441497 | 0.74 | ALDH1A1 (0.53) | ALDH1A1HPGDSMN1; SMN2LMNAGAA | |
| SCHEMBL6442323 | 0.74 | GAA (0.40) | ALDH1A1HPGDSMN1; SMN2LMNAGAA | |
| SCHEMBL6441245 | 0.73 | MAPT (0.45) | ALDH1A1HPGDSMN1; SMN2LMNAKDM4E | |
| SCHEMBL6441172 | 0.73 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2LMNAGAAKDM4E | |
| SCHEMBL6440359 | 0.73 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2LMNAKDM4ESTAT3 | |
| SCHEMBL6439608 | 0.73 | MAPT (0.45) | ALDH1A1HPGDSMN1; SMN2LMNAKDM4E |
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-1534683-A4 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-08-24 | — | — | EP | disclosed |
| EP-1534683-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002409-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-08 | — | — | WO | disclosed |