Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2586908 | 0.79 | ALDH1A1 (0.58) | HSP90AA1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL2580456 | 0.78 | HSP90AA1 (0.44) | HSP90AA1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL4270038 | 0.77 | NPC1 (0.38) | HSP90AA1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL2585248 | 0.73 | POLB (0.46) | HSP90AA1ALDH1A1SMN1; SMN2LMNAKMT2A | |
| SCHEMBL15300340 | 0.69 | CHRM3 (0.33) | HSP90AA1HPGDKMT2AMEN1RAB9A | |
| SCHEMBL2582213 | 0.69 | GAA (0.57) | HSP90AA1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL2587252 | 0.67 | ALDH1A1 (0.57) | HSP90AA1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL4268590 | 0.66 | MAPT (0.58) | HSP90AA1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL2580833 | 0.65 | ALDH1A1 (0.53) | HSP90AA1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL2586734 | 0.64 | HSP90AA1 (0.55) | HSP90AA1ALDH1A1SMN1; SMN2LMNAHPGD |
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 |