Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL25265196 | 0.81 | LMNA (0.44) | TNKS2LMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL25188259 | 0.81 | LMNA (0.44) | TNKS2LMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL339813 | 0.72 | LMNA (0.82) | GSTP1LMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL27367676 | 0.72 | LMNA (0.82) | GSTP1LMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL4864711 | 0.69 | TNKS2 (0.51) | TNKS2GSTP1LMNACYP1A2PTGS1 | |
| SCHEMBL19586198 | 0.69 | MAOB (0.55) | TNKS2GSTP1LMNACYP1A2PTGS1 | |
| SCHEMBL4864718 | 0.69 | TNKS2 (0.51) | TNKS2GSTP1LMNACYP1A2PTGS1 | |
| SCHEMBL4864732 | 0.69 | TNKS2 (0.51) | TNKS2GSTP1LMNACYP1A2PTGS1 | |
| SCHEMBL8483583 | 0.69 | LMNA (0.55) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL8481310 | 0.69 | LMNA (0.55) | LMNACYP1A2PTGS1SLC6A2CYP2C19 |
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-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-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 |