Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7347238 | 0.90 | PTGS2 (0.51) | ALOX5SMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL7348628 | 0.82 | DYRK1A (0.48) | NOTUMSMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL15677665 | 0.74 | ALOX5 (0.72) | ALOX5NOTUMCYP11B1CYP11B2SMN1; SMN2 | |
| SCHEMBL30527823 | 0.74 | GSTP1 (0.48) | ALOX5NOTUMCYP11B1CYP11B2SMN1; SMN2 | |
| SCHEMBL8551301 | 0.74 | GSTP1 (0.48) | ALOX5NOTUMCYP11B1CYP11B2SMN1; SMN2 | |
| SCHEMBL8590374 | 0.74 | LMNA (0.41) | NOTUMSMN1; SMN2NPC1HTTHPGD | |
| SCHEMBL30527899 | 0.72 | ALDH1A1 (0.41) | SMN1; SMN2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL979621 | 0.71 | CFTR (0.43) | SMN1; SMN2HTTKDM4EALDH1A1HPGD | |
| SCHEMBL8552206 | 0.71 | PTGS1 (0.41) | NOTUMSMN1; SMN2NPC1RAB9APTGS2 | |
| SCHEMBL30527856 | 0.71 | KMT2A (0.31) | KMT2A |
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-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-1998042702-A1 | ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-10-01 | — | — | WO | 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 |