Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL22482004 | 0.80 | SMN1; SMN2 (0.42) | NPC1RAB9ASMN1; SMN2TSHRMAPK1 | |
| SCHEMBL2582668 | 0.76 | KMT2A (0.42) | NPC1RAB9ASMN1; SMN2TSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL2582170 | 0.75 | KMT2A (0.41) | NPC1RAB9ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL12339940 | 0.74 | KMT2A (0.68) | NPC1RAB9ASMN1; SMN2MAPK1POLB | |
| Hydrochloric Acid SCHEMBL22615453 | 0.73 | SMN1; SMN2 (0.58) | NPC1RAB9ASMN1; SMN2HSP90AA1LMNA | |
| SCHEMBL2584836 | 0.73 | HSP90AA1 (0.49) | NPC1RAB9ASMN1; SMN2TSHRMAPK1 | |
| SCHEMBL15088287 | 0.70 | CHRM3 (0.51) | NPC1RAB9ASMN1; SMN2POLBALDH1A1 | |
| SCHEMBL29425141 | 0.70 | CHRM3 (0.47) | — | |
| SCHEMBL2579235 | 0.69 | HSP90AA1 (0.51) | NPC1RAB9ASMN1; SMN2TSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL29425111 | 0.69 | CHRM3 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |