Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GHSR | Q92847 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL6441087 | 0.76 | GHSR (0.40) | PTGS2PTGDR2GHSRALDH1A1LMNA | |
| SCHEMBL3867622 | 0.75 | CA9 (0.54) | PTGS2 | |
| SCHEMBL3864776 | 0.67 | MDM2 (0.48) | PTGS2 | |
| SCHEMBL69431 | 0.67 | KMT2A (0.52) | POLBKMT2ATP53THRBMEN1 | |
| SCHEMBL27309993 | 0.66 | HCAR2 (0.49) | PTGS2POLBKMT2AMEN1LMNA | |
| SCHEMBL31335067 | 0.65 | HCAR2 (0.51) | POLBKMT2ATP53THRBNPC1 | |
| SCHEMBL27999806 | 0.64 | ESR1 (0.56) | KMT2ANPC1ALDH1A1LMNAMAPT | |
| SCHEMBL6441494 | 0.63 | KMT2A (0.49) | POLBKMT2AMEN1NPC1LMNA | |
| SCHEMBL16351975 | 0.63 | TDP1 (0.43) | KMT2ANPC1ALDH1A1MAPTMAPK1 | |
| SCHEMBL8486229 | 0.63 | PTGS2 (0.64) | PTGS2 |
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 |