Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2582055 | 0.83 | TSHR (0.50) | HSP90AA1TSHRSMN1; SMN2MAPK1NPC1 | |
| SCHEMBL4263251 | 0.80 | EPHX2 (0.41) | HSP90AA1LMNA | |
| SCHEMBL2588237 | 0.75 | SMN1; SMN2 (0.47) | HSP90AA1TSHRSMN1; SMN2MAPK1NPC1 | |
| SCHEMBL5531071 | 0.72 | EPHX2 (0.39) | HSP90AA1 | |
| SCHEMBL2582036 | 0.70 | GAA (0.52) | HSP90AA1SMN1; SMN2MAPK1NPC1RAB9A | |
| SCHEMBL2584833 | 0.68 | NPC1 (0.44) | HSP90AA1SMN1; SMN2MAPK1NPC1RAB9A | |
| SCHEMBL2579161 | 0.67 | GAA (0.48) | HSP90AA1TSHRSMN1; SMN2NPC1RAB9A | |
| SCHEMBL2588891 | 0.67 | HSP90AA1 (0.62) | HSP90AA1TSHRSMN1; SMN2MAPK1NPC1 | |
| SCHEMBL22482153 | 0.66 | HSP90AA1 (0.48) | HSP90AA1TSHRSMN1; SMN2MAPK1NPC1 | |
| SCHEMBL2585254 | 0.65 | POLB (0.44) | HSP90AA1TSHRSMN1; SMN2KMT2ALMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8048879-B2 | Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments | GRUENENTHAL GMBH (DE) | 2011-11-01 | — | — | US | claimed |
| US-8048879-B2 | Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments | GRUENENTHAL GMBH (DE) | 2011-11-01 | — | — | US | disclosed |