Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | PTPRC | P08575 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TNKS | O95271 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAPDH | P04406 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7348557 | 0.90 | ALOX5 (0.46) | PTGS2PTPRCNPC1RAB9AKDM4E | |
| SCHEMBL7348628 | 0.76 | DYRK1A (0.48) | NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL8590374 | 0.74 | LMNA (0.41) | NPC1MAPTSMN1; SMN2HPGDLMNA | |
| SCHEMBL8551301 | 0.74 | GSTP1 (0.48) | KDM4EALDH1A1SMN1; SMN2CA2CA9 | |
| SCHEMBL13915420 | 0.74 | AHR (0.45) | PTGS2KDM4EMAPTCA12CA9 | |
| SCHEMBL30527823 | 0.74 | GSTP1 (0.48) | KDM4EALDH1A1SMN1; SMN2CA2CA9 | |
| SCHEMBL6316764 | 0.73 | PTGS2 (0.87) | PTGS2PTPRCNPC1RAB9AKDM4E | |
| SCHEMBL30527899 | 0.72 | ALDH1A1 (0.41) | PTPRCNPC1RAB9AALDH1A1MAPT | |
| SCHEMBL979621 | 0.71 | CFTR (0.43) | PTPRCKDM4EALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL2692579 | 0.71 | CA12 (0.59) | PTGS2PTPRCNPC1RAB9AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882030-A1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK PATENT GmbH (DE) | 1998-12-09 | — | — | EP | disclosed |
| WO-1998027077-A1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES AND THEIR USE AS ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-06-25 | — | — | WO | disclosed |
| WO-1997030982-A1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-08-28 | — | — | WO | disclosed |