Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.54 |
| ▸ | RELA | Q04206 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 5/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2723550 | 0.92 | NPC1 (0.51) | NPC1SMN1; SMN2MAPTNFKB1NFKB2 | |
| SCHEMBL2732948 | 0.91 | PTGS1 (0.52) | NPC1SMN1; SMN2MAPTNFKB1NFKB2 | |
| SCHEMBL2723987 | 0.88 | NPC1 (0.48) | NPC1SMN1; SMN2MAPTNFKB1NFKB2 | |
| SCHEMBL2730667 | 0.87 | NPC1 (0.47) | NPC1SMN1; SMN2MAPTNFKB1NFKB2 | |
| SCHEMBL2732451 | 0.87 | MAPT (0.47) | NPC1SMN1; SMN2MAPTNFKB1NFKB2 | |
| SCHEMBL10080854 | 0.86 | MAPT (0.46) | NPC1SMN1; SMN2MAPTNFKB1NFKB2 | |
| SCHEMBL2721495 | 0.84 | PTGS1 (0.53) | NPC1SMN1; SMN2MAPTNFKB1NFKB2 | |
| SCHEMBL2730225 | 0.82 | LMNA (0.47) | NPC1SMN1; SMN2MAPTNFKB1NFKB2 | |
| SCHEMBL2731045 | 0.80 | PTGS1 (0.47) | NPC1SMN1; SMN2MAPTNFKB1NFKB2 | |
| SCHEMBL10080858 | 0.80 | NPC1 (0.41) | NPC1SMN1; SMN2MAPTNFKB1NFKB2 |
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 |