Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.31 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL5281280 | 0.87 | PTGS2 (0.39) | KDM4EPTGS2PTGS1 | |
| SCHEMBL5288747 | 0.85 | PTGS2 (0.38) | KDM4EALDH1A1NPC1MAPTOPRK1 | |
| SCHEMBL5288324 | 0.84 | L3MBTL1 (0.36) | KDM4EALDH1A1NPC1MAPTPTGS2 | |
| SCHEMBL14624160 | 0.77 | HTT (0.35) | NPC1MAPK1HTTSMN1; SMN2PTGS2 | |
| SCHEMBL5296183 | 0.75 | POLB (0.34) | KDM4EALDH1A1HTTSMN1; SMN2PTGS2 | |
| SCHEMBL5325697 | 0.74 | RAD51 (0.40) | NPC1MAPK1HTTSMN1; SMN2PTGS2 | |
| SCHEMBL5280436 | 0.73 | POLB (0.37) | KDM4EALDH1A1MAPTHTTPTGS2 | |
| SCHEMBL5331474 | 0.73 | PTGS2 (0.38) | KDM4EMAPTHTTSMN1; SMN2PTGS2 | |
| SCHEMBL14622453 | 0.72 | CYP11B1 (0.43) | KDM4EALDH1A1NPC1MAPK1HTT | |
| SCHEMBL5325289 | 0.72 | HSP90AA1 (0.38) | NPC1HSP90AA1MAPTMAPK1PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007007161-A2 | NOVEL BIO-ACTIVE DERIVATIVES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-01-18 | — | — | WO | disclosed |