Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CD4 | P01730 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2582179 | 0.92 | RAB9A (0.47) | NPC1PKMRAB9ATP53HPGD | |
| SCHEMBL2588885 | 0.90 | PKM (0.55) | NPC1PKMRAB9ATP53HPGD | |
| SCHEMBL2581162 | 0.86 | RAB9A (0.58) | NPC1PKMRAB9ATP53HPGD | |
| SCHEMBL2586012 | 0.81 | MEN1 (0.47) | NPC1RAB9ASMN1; SMN2MAPTTSHR | |
| SCHEMBL4259737 | 0.81 | PKM (0.48) | NPC1PKMRAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL2582491 | 0.79 | ALDH1A1 (0.48) | NPC1PKMRAB9ATP53SMN1; SMN2 | |
| SCHEMBL2576007 | 0.79 | ALDH1A1 (0.59) | NPC1RAB9ATP53HPGDSMN1; SMN2 | |
| SCHEMBL2588829 | 0.79 | MAPT (0.48) | NPC1PKMRAB9ATP53MAPT | |
| SCHEMBL4264943 | 0.78 | L3MBTL1 (0.50) | PKMTP53SMN1; SMN2TSHRGAA | |
| SCHEMBL2576115 | 0.78 | LMNA (0.52) | NPC1PKMRAB9ATP53HPGD |
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 |