Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8563348 | 0.86 | MEN1 (0.43) | SMN1; SMN2ALDH1A1HTTGAAPOLB | |
| SCHEMBL14165763 | 0.77 | LMNA (0.35) | SMN1; SMN2MEN1KMT2AHPGDTP53 | |
| SCHEMBL28151437 | 0.75 | LMNA (0.41) | POLBMEN1KMT2ATP53LMNA | |
| SCHEMBL28301304 | 0.73 | MAPT (0.37) | SMN1; SMN2ALDH1A1HTTPOLBMEN1 | |
| SCHEMBL4063113 | 0.73 | TRPV4 (0.42) | TP53LMNAEDNRA | |
| SCHEMBL9571061 | 0.72 | LMNA (0.34) | MEN1KMT2ALMNATSHR | |
| SCHEMBL3786216 | 0.69 | SMN1; SMN2 (0.71) | SMN1; SMN2ALDH1A1HTTGAAPOLB | |
| SCHEMBL2089394 | 0.69 | SMN1; SMN2 (0.73) | SMN1; SMN2ALDH1A1HTTGAAPOLB | |
| SCHEMBL8556595 | 0.69 | EDNRA (0.49) | ALDH1A1NPC1RAB9AHPGDEDNRB | |
| SCHEMBL11481934 | 0.69 | IDO1 (0.66) | SMN1; SMN2ALDH1A1HTTMEN1KMT2A |
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-0885219-A1 | N-(2,1,3-BENZOTHIA(OXA)DIAZOLYL)-SULPHONAMIDES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK PATENT GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997030996-A1 | N-(2,1,3-BENZOTHIA(OXA)DIAZOLYL)-SULPHONAMIDES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-08-28 | — | — | WO | disclosed |