Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6441245 | 0.89 | MAPT (0.45) | ALDH1A1LMNASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL6439608 | 0.89 | MAPT (0.45) | ALDH1A1LMNASMN1; SMN2KDM4ESTAT3 | |
| SCHEMBL6440359 | 0.89 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2KDM4ESTAT3 | |
| SCHEMBL6441172 | 0.89 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2KDM4ESTAT3 | |
| SCHEMBL6440017 | 0.86 | TGFBR1 (0.44) | ALDH1A1LMNASMN1; SMN2KDM4ESTAT3 | |
| SCHEMBL5150566 | 0.86 | ALDH1A1 (0.39) | ALDH1A1LMNASMN1; SMN2KDM4ESTAT3 | |
| SCHEMBL6444469 | 0.86 | ALDH1A1 (0.41) | ALDH1A1LMNASMN1; SMN2KDM4ESTAT3 | |
| SCHEMBL5154541 | 0.81 | ALDH1A1 (0.37) | ALDH1A1LMNAKDM4EGAANPC1 | |
| SCHEMBL6438861 | 0.76 | RPS6KA3 (0.43) | ALDH1A1LMNAKDM4EGAANPC1 | |
| SCHEMBL28180319 | 0.76 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2KDM4ESTAT3 |
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 |