Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | GABRE | P78334 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.37 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.37 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL507807 | 0.83 | LSS (0.39) | LSSCYP2A6ALDH1A1IMPDH2ERN1 | |
| SCHEMBL5035375 | 0.80 | ESR1 (0.47) | ALDH1A1SMN1; SMN2ERN1RAB9A | |
| SCHEMBL17154291 | 0.80 | APP (0.45) | PTGS1PTGS2MAPK14CYP17A1LMNA | |
| SCHEMBL5039825 | 0.77 | LSS (0.43) | LSSLMNASMN1; SMN2ERN1 | |
| SCHEMBL5045447 | 0.76 | APP (0.49) | LSSMAPK14ALDH1A1RAB9A | |
| SCHEMBL16693180 | 0.74 | CYP2A6 (0.42) | CYP2A6ALDH1A1LMNA | |
| SCHEMBL5043116 | 0.73 | LSS (0.54) | LSSALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL5038373 | 0.73 | LSS (0.50) | LSSALDH1A1RAB9A | |
| SCHEMBL5045728 | 0.72 | LSS (0.52) | LSSALDH1A1RAB9A | |
| SCHEMBL6986136 | 0.72 | CYP11B1 (0.48) | CYP2A6ALDH1A1LMNASMN1; SMN2RAB9A |
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-1915369-A1 | NOVEL SUBSTITUTED 1,2,3-T II AZOLYLMETHYL-BENZOTHIOPHENE OR -INDOLE AND THEIR USE AS LEUKOTIIENE BIOSYNTHESIS INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007016784-A1 | NOVEL SUBSTITUTED 1,2,3-TΠAZOLYLMETHYL-BENZOTHIOPHENE OR -INDOLE AND THEIR USE AS LEUKOTΠENE BIOSYNTHESIS INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2007-02-15 | — | — | WO | disclosed |
| WO-2007016784-A1 | NOVEL SUBSTITUTED 1,2,3-TΠAZOLYLMETHYL-BENZOTHIOPHENE OR -INDOLE AND THEIR USE AS LEUKOTΠENE BIOSYNTHESIS INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2007-02-15 | — | — | WO | disclosed |