Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | MAP2 | P11137 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.36 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.36 |
| ▸ | FADS1 | O60427 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16119858 | 0.92 | ALDH1A1 (0.43) | ALDH1A1HSD17B10CYP2A6ADORA2AADORA1 | |
| SCHEMBL21087773 | 0.84 | HSD17B10 (0.50) | ALDH1A1HSD17B10PTGS2PTGS1TSHR | |
| SCHEMBL10712308 | 0.84 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6ADORA1CSNK2A1 | |
| SCHEMBL6572708 | 0.78 | GAA (0.52) | ALDH1A1HSD17B10CYP2A6ADORA1CSNK2A1 | |
| SCHEMBL8734809 | 0.78 | CYP2A6 (0.48) | CYP2A6ADORA2AADORA1CSNK2A1PTGS2 | |
| SCHEMBL30296558 | 0.77 | CSNK2A1 (0.44) | ALDH1A1HSD17B10CYP2A6ADORA2AADORA1 | |
| SCHEMBL26456968 | 0.77 | CSNK2A1 (0.44) | ALDH1A1HSD17B10CYP2A6ADORA2AADORA1 | |
| SCHEMBL2940751 | 0.77 | TDO2 (0.45) | ALDH1A1ADORA2AADORA1PTGS2PTGS1 | |
| SCHEMBL16615862 | 0.76 | ALDH1A1 (0.62) | ALDH1A1HSD17B10CYP2A6ADORA2AADORA1 | |
| SCHEMBL17463848 | 0.74 | ALDH1A1 (0.59) | ALDH1A1HSD17B10ADORA2AADORA1SMARCA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102177137-A | 1-phenylpyrrole compounds | EXELIXIS INC | 2011-09-07 | — | — | CN | disclosed |
| EP-2349996-A1 | 1-PHENYLPYRROLE COMPOUNDS | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010042626-A1 | 1-PHENYLPYRROLE COMPOUNDS | EXELIXIS, INC. (US) | 2010-04-15 | — | — | WO | disclosed |