Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL693996 | 0.79 | PTGS2 (0.36) | PTGS2 | |
| SCHEMBL5722191 | 0.76 | ALDH1A1 (0.39) | CYP2A6CYP2B6ALDH1A1HSD17B10BACE1 | |
| SCHEMBL5924764 | 0.74 | CYP2A6 (0.43) | CYP2A6CYP2B6ALDH1A1HSD17B10BACE1 | |
| SCHEMBL694948 | 0.74 | IKBKB (0.40) | ALDH1A1HSD17B10HPGDTDP1 | |
| SCHEMBL9776335 | 0.70 | CYP2A6 (0.38) | CYP2A6CYP2B6ALDH1A1HSD17B10HPGD | |
| SCHEMBL21295664 | 0.65 | ALDH1A1 (0.39) | CYP2A6ALDH1A1HSD17B10BACE1PDCD1 | |
| SCHEMBL21295797 | 0.65 | F9 (0.41) | CYP2A6ALDH1A1HSD17B10BACE1PDCD1 | |
| SCHEMBL1825367 | 0.64 | BCAT2 (0.47) | CYP2A6CYP2B6ALDH1A1HSD17B10AKT1 | |
| SCHEMBL9792869 | 0.63 | PDCD1 (0.54) | CYP2A6CYP2B6ALDH1A1HSD17B10AKT1 | |
| SCHEMBL1423297 | 0.63 | ALDH1A1 (0.47) | CYP2A6CYP2B6ALDH1A1HSD17B10BACE1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534700-A1 | NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | WARNER-LAMBERT COMPANY LLC (US) | 2005-06-01 | — | — | EP | claimed |
| WO-2004018448-A1 | NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | WARNER-LAMBERT COMPANY LLC (US) | 2004-03-04 | — | — | WO | claimed |
| EP-1394159-A1 | New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them | Warner-Lambert Company LLC (US) | 2004-03-03 | — | — | EP | claimed |
| EP-1534700-A1 | NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | WARNER-LAMBERT COMPANY LLC (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004018448-A1 | NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | WARNER-LAMBERT COMPANY LLC (US) | 2004-03-04 | — | — | WO | disclosed |
| EP-1394159-A1 | New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them | Warner-Lambert Company LLC (US) | 2004-03-03 | — | — | EP | disclosed |