Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 9/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | DUT | P33316 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3864270 | 0.92 | CDC25B (0.37) | CDC25BGSK3BPTPN2PTPN1PTPN11 | |
| SCHEMBL5150860 | 0.88 | TRPA1 (0.32) | — | |
| SCHEMBL6439608 | 0.74 | MAPT (0.45) | MAPTGSK3BHSD17B10LMNAHPGD | |
| SCHEMBL3864470 | 0.73 | CHRNA7 (0.49) | KMT2ASMN1; SMN2 | |
| SCHEMBL6441895 | 0.71 | PKM (0.38) | MAPTGSK3BHSD17B10LMNAHPGD | |
| SCHEMBL3864273 | 0.71 | CDC25B (0.35) | CDC25BPTPN2PTPN1PTPN11LMNA | |
| SCHEMBL6438007 | 0.70 | PTGS2 (0.45) | CDC25B | |
| SCHEMBL8642444 | 0.67 | GSK3B (0.45) | MAPTGSK3BHTTHSD17B10LMNA | |
| SCHEMBL5150746 | 0.65 | MDM2 (0.45) | KMT2A | |
| SCHEMBL6441497 | 0.65 | ALDH1A1 (0.53) | MAPTHSD17B10LMNAHPGDKDM4E |
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 |