Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | EDNRA | P25101 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | EDNRB | P24530 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | DHPS | P49366 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8328086 | 0.86 | ALDH1A1 (0.40) | ALDH1A1GFERHTR2ASLC6A4EDNRA | |
| SCHEMBL7329617 | 0.85 | ALDH1A1 (0.40) | ALDH1A1GFERHTR2ASLC6A4EDNRA | |
| SCHEMBL7298739 | 0.80 | CDK1 (0.43) | ALDH1A1GFERHTR2ASLC6A4EDNRA | |
| SCHEMBL7324465 | 0.78 | DHPS (0.55) | ALDH1A1DHPSL3MBTL1CA12CA1 | |
| SCHEMBL4435549 | 0.76 | EDNRB (0.44) | ALDH1A1HTR2ASLC6A4EDNRAKCNH2 | |
| SCHEMBL8326435 | 0.76 | EDNRA (0.45) | ALDH1A1EDNRAEDNRBKDM4EGAA | |
| SCHEMBL8323581 | 0.75 | HTR2A (0.40) | ALDH1A1GFERHTR2ASLC6A4EDNRA | |
| SCHEMBL8328712 | 0.69 | KMT2A (0.37) | ALDH1A1HTR2ASLC6A4EDNRAKCNH2 | |
| SCHEMBL4427054 | 0.69 | EDNRB (0.43) | ALDH1A1HTR2ASLC6A4EDNRAKCNH2 | |
| SCHEMBL7009624 | 0.69 | EDNRB (0.41) | ALDH1A1HTR2ASLC6A4EDNRAKCNH2 |
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 |