Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | APLNR | P35414 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL2004992 | 0.80 | HSD11B1 (0.36) | NPC1SMN1; SMN2TP53RAB9AALDH1A1 | |
| SCHEMBL919281 | 0.77 | HSD11B1 (0.49) | TSHRALDH1A1PTGS2 | |
| SCHEMBL4172929 | 0.76 | CA2 (0.36) | ALDH1A1PTGS2APLNR | |
| SCHEMBL1544336 | 0.73 | NPC1 (0.55) | NPC1SMN1; SMN2TP53TSHRRAB9A | |
| SCHEMBL12383282 | 0.73 | NPC1 (0.55) | NPC1SMN1; SMN2TP53TSHRRAB9A | |
| SCHEMBL30396221 | 0.73 | NPC1 (0.55) | NPC1SMN1; SMN2TP53TSHRRAB9A | |
| SCHEMBL2004127 | 0.73 | DRD3 (0.32) | RAB9AALDH1A1 | |
| SCHEMBL23153544 | 0.73 | RAB9A (0.51) | NPC1SMN1; SMN2TP53TSHRRAB9A | |
| SCHEMBL1544452 | 0.72 | ALDH1A1 (0.43) | SMN1; SMN2TSHRALDH1A1MAPT | |
| SCHEMBL9224690 | 0.72 | HSD11B1 (0.50) | SMN1; SMN2ALDH1A1PTGS2HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2324019-A1 | A CRYSTALLINE FORM OF 4-(5-{(IR)-1-[5- (3-CHLOROPHENYL) ISOXAZOL-3-YL]ETHOXY}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL) PYRIDINE | AstraZeneca AB (SE) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010019101-A1 | A CRYSTALLINE FORM OF 4- (5-{ (IR) -1- [5- (3- CHLOROPHENYL) ISOXAZOL-3-YL] ETHOXY } - 4 -METHYL- 4H- 1, 2,4- TRIAZOL-3-YL) PYRIDINE | ASTRAZENECA AB (SE) | 2010-02-18 | — | — | WO | disclosed |