Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.32 |
| ▸ | ALDH1B1 | P30837 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 4/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL9739639 | 0.79 | CCR4 (0.40) | KDM4EALDH1A1POLBHPGDGLA | |
| SCHEMBL9739837 | 0.74 | MAOB (0.48) | KDM4EALDH1A1POLBHPGDGLA | |
| SCHEMBL2546876 | 0.71 | NQO1 (0.43) | KDM4EALDH1A1POLBHPGDGLA | |
| SCHEMBL31683019 | 0.70 | KDM4E (0.46) | KDM4EALDH1A1POLBHPGDGLA | |
| SCHEMBL31683270 | 0.69 | KDM4E (0.48) | KDM4EALDH1A1HPGDGLAGAA | |
| SCHEMBL11695911 | 0.68 | IDH1 (0.42) | ALDH1A1 | |
| SCHEMBL31683133 | 0.68 | KDM4E (0.47) | KDM4EALDH1A1POLBHPGDGLA | |
| SCHEMBL11541643 | 0.67 | ALOX5 (0.30) | ALOX5 | |
| SCHEMBL31683226 | 0.63 | KDM4E (0.49) | KDM4EALDH1A1POLBHPGDGLA | |
| SCHEMBL11538061 | 0.63 | PIN1 (0.44) | KDM4EALDH1A1POLBHPGDGAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5087638-A | Inhibitors of mammalian leukotriene biosynthesis | MERCK FROSST CANADA, INC. (CA) | 1992-02-11 | — | — | US | disclosed |
| EP-0338782-A1 | Benzofuran derivatives | MERCK FROSST CANADA INC. (CA) | 1989-10-25 | — | — | EP | disclosed |
| US-4863958-A | TREATING ALLERGIC CONDITIONS, ASTHMA, CARDIOVASCULAR DISORDERS, AND INFLAMMATION | MERCK FROSST CANADA, INC. (CA) | 1989-09-05 | — | — | US | disclosed |
| EP-0165810-B1 | BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES, THEIR USE IN INHIBITING MAMMALIAN LEUKOTRIENE BIOSYNTHESIS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES | MERCK FROSST CANADA INC. (CA) | 1989-08-23 | — | — | EP | disclosed |
| EP-0165810-A2 | Benzofuran and benzothiophene derivatives, their use in inhibiting mammalian leukotriene biosynthesis, and pharmaceutical compositions containing these derivatives | MERCK FROSST CANADA INC. (CA) | 1985-12-27 | — | — | EP | disclosed |