Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9869706 | 0.83 | CYP1A2 (0.34) | HSPA5CYP1A2KEAP1KDM4EALOX12 | |
| SCHEMBL9869324 | 0.82 | HSPA5 (0.31) | HSPA5CYP1A2 | |
| SCHEMBL9870815 | 0.68 | LMNA (0.48) | KDM4EHPGDALOX5LMNAMAPT | |
| SCHEMBL9752017 | 0.67 | ALDH1A1 (0.59) | HSPA5KEAP1KDM4EALDH1A1HPGD | |
| SCHEMBL9869589 | 0.62 | LIMK1 (0.41) | KDM4EALDH1A1ALOX5MAPT | |
| SCHEMBL9868855 | 0.61 | ALOX5 (0.45) | KDM4EALDH1A1HPGDGAAALOX5 | |
| SCHEMBL8745956 | 0.60 | HSPA5 (0.62) | HSPA5KEAP1KDM4EALDH1A1HPGD | |
| SCHEMBL29357407 | 0.60 | HSPA5 (1.00) | HSPA5KEAP1KDM4EALDH1A1HPGD | |
| SCHEMBL49745 | 0.60 | HSPA5 (1.00) | HSPA5KEAP1KDM4EALDH1A1HPGD | |
| SCHEMBL9307991 | 0.59 | HSPA5 (0.67) | HSPA5CYP1A2KEAP1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5006532-A | Enzyme inhibitor; antiinflammatory agents | MERCK & CO. INC., INC. (US) | 1991-04-09 | — | — | US | disclosed |
| US-4904672-A | Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors | MERCK & CO., INC. (US) | 1990-02-27 | — | — | US | disclosed |
| US-4767766-A | Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors | MERCK & CO., INC. (US) | 1988-08-30 | — | — | US | disclosed |