Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | DHPS | P49366 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7298739 | 0.81 | CDK1 (0.43) | HTR2ASLC6A4KCNH2DHPSGAA | |
| SCHEMBL7329617 | 0.78 | ALDH1A1 (0.40) | HTR2ASLC6A4KCNH2DHPSGAA | |
| SCHEMBL4435549 | 0.77 | EDNRB (0.44) | HTR2ASLC6A4KCNH2GAAEDNRB | |
| SCHEMBL8328086 | 0.77 | ALDH1A1 (0.40) | HTR2ASLC6A4KCNH2DHPSCYP11B1 | |
| SCHEMBL8323583 | 0.75 | ALDH1A1 (0.38) | HTR2ASLC6A4KCNH2DHPSGAA | |
| SCHEMBL4427054 | 0.70 | EDNRB (0.43) | HTR2ASLC6A4KCNH2EDNRBEDNRA | |
| SCHEMBL31179987 | 0.69 | P2RX3 (0.52) | HTR2ASLC6A4KCNH2DHPSGAA | |
| SCHEMBL7009624 | 0.69 | EDNRB (0.41) | HTR2ASLC6A4KCNH2EDNRBEDNRA | |
| SCHEMBL7010336 | 0.69 | DHPS (0.41) | DHPSEDNRBEDNRAALDH1A1HPGD | |
| SCHEMBL8634388 | 0.69 | HTR2A (0.36) | HTR2ASLC6A4KCNH2DHPSGAA |
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-0633259-B1 | Sulfonylaminopyrimidines, their preparation and their use as medicine | HOFFMANN LA ROCHE (CH) | 1999-01-13 | — | — | EP | disclosed |
| US-5541186-A | ENDOTHELIN RECEPTOR INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0633259-A1 | Sulfonylaminopyrimidines, their preparation and their use as medicine | F. HOFFMANN-LA ROCHE AG (CH) | 1995-01-11 | — | — | EP | disclosed |