Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 5/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | GCK | P35557 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CPB1 | P15086 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8883824 | 0.84 | ALOX5 (0.41) | PPARGALOX5PTGESPTGS2PSEN1 | |
| SCHEMBL8779243 | 0.82 | PPARG (0.38) | PPARGMCHR1NFE2L2IDO1NPC1 | |
| SCHEMBL8779418 | 0.75 | PPARG (0.36) | PPARGMCHR1NPC1BCHEACHE | |
| SCHEMBL8779083 | 0.74 | PARP10 (0.40) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL8779239 | 0.74 | LNPEP (0.40) | PPARG | |
| SCHEMBL8779428 | 0.72 | IRAK4 (0.43) | NFE2L2 | |
| SCHEMBL8881924 | 0.72 | LNPEP (0.38) | PPARGMCHR1NFE2L2IDO1GCK | |
| SCHEMBL8779185 | 0.70 | ACACB (0.37) | PPARGALOX5MCHR1GAAHTT | |
| SCHEMBL8779132 | 0.68 | ACACB (0.34) | HTT | |
| SCHEMBL8779237 | 0.68 | LOX (0.36) | CDK1CDK2 |
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-0661269-B1 | Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments | HOECHST AG (DE) | 1997-03-26 | — | — | EP | disclosed |
| EP-0661269-A1 | Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-07-05 | — | — | EP | disclosed |