Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 7/20 | 0.47 |
| ▸ | PKLR | P30613 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5531185 | 0.88 | MEN1 (0.45) | PKMALDH1A1AKR1C3L3MBTL1 | |
| SCHEMBL5533864 | 0.87 | MEN1 (0.44) | PKMPKLRALDH1A1AKR1C3KDM4E | |
| SCHEMBL5531317 | 0.87 | AKR1C3 (0.43) | AKR1C3SMN1; SMN2 | |
| SCHEMBL4259737 | 0.85 | PKM (0.48) | PKMPKLRNPC1RAB9AALDH1A1 | |
| SCHEMBL5529260 | 0.84 | KMT2A (0.49) | RAB9AALDH1A1USP2SMN1; SMN2 | |
| SCHEMBL15062759 | 0.84 | CHRM3 (0.38) | ALDH1A1AKR1C3KDM4ELMNA | |
| SCHEMBL5539142 | 0.80 | AKR1C3 (0.46) | ALDH1A1AKR1C3 | |
| SCHEMBL5532941 | 0.79 | POLB (0.45) | PKMALDH1A1LMNA | |
| SCHEMBL5527334 | 0.79 | HPGD (0.46) | NPC1ALDH1A1L3MBTL1LMNATSHR | |
| SCHEMBL2589382 | 0.78 | LMNA (0.53) | PKMPKLRNPC1RAB9AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1869053-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2013-10-09 | — | — | EP | claimed |
| EP-1869053-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2013-10-09 | — | — | EP | disclosed |
| EP-1869053-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS | Grünenthal GmbH (DE) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006105945-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS | Grünenthal GmbH (DE) | 2006-10-12 | — | — | WO | disclosed |