Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMURF1 | Q9HCE7 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2730709 | 0.87 | PTGS1 (0.47) | PTGS2PTGS1MAPTTP53GPBAR1 | |
| SCHEMBL4549984 | 0.85 | PTGS2 (0.50) | PTGS2PTGS1MAPTNPC1RAB9A | |
| SCHEMBL2723947 | 0.83 | PTGS2 (0.59) | PTGS2PTGS1MAPTNPC1RAB9A | |
| SCHEMBL2723070 | 0.82 | TP53 (0.47) | PTGS2PTGS1MAPTTP53NPC1 | |
| SCHEMBL9956787 | 0.80 | HSP90AA1 (0.51) | PTGS2PTGS1NPC1RAB9AGPBAR1 | |
| SCHEMBL2721092 | 0.78 | LMNA (0.42) | PTGS2PTGS1MAPTTP53NPC1 | |
| SCHEMBL2730299 | 0.77 | PTGS1 (0.51) | PTGS2PTGS1MAPTNPC1NFKB1 | |
| SCHEMBL2721067 | 0.77 | GPBAR1 (0.47) | PTGS2PTGS1MAPTTP53NPC1 | |
| SCHEMBL2732046 | 0.75 | PTGS1 (0.43) | PTGS2PTGS1MAPTNPC1RAB9A | |
| SCHEMBL2720986 | 0.75 | PTGS1 (0.52) | PTGS2PTGS1MAPTTP53NPC1 |
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-2012052395-A1 | ISOXAZOLE DERIVATIVES USED AS OESTROGEN MODULATORS | N. V. ORGANON (NL) | 2012-04-26 | — | — | WO | disclosed |