Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.44 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TOP1 | P11387 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9869589 | 0.78 | LIMK1 (0.41) | KAT2BMEN1KMT2AMAPTKDM4E | |
| SCHEMBL8344672 | 0.69 | TP53 (0.54) | DYRK1ACLK4MEN1KMT2AHSP90AA1 | |
| SCHEMBL12302829 | 0.68 | CLK4 (1.00) | DYRK1ACLK4CYP19A1AURKAMEN1 | |
| SCHEMBL16047508 | 0.68 | KCNA5 (0.62) | DYRK1ACLK4MAOBABCG2CYP19A1 | |
| SCHEMBL9539889 | 0.68 | TP53 (0.47) | ABCG2MEN1KMT2AMAPTKDM4E | |
| SCHEMBL9540854 | 0.68 | TP53 (0.44) | KAT2BABCG2KMT2AHSP90AA1MAPT | |
| SCHEMBL4134050 | 0.68 | TP53 (0.64) | KMT2AMAPTKDM4ETP53CYP2C9 | |
| SCHEMBL27388336 | 0.67 | LIMK1 (0.44) | KAT2BMEN1KMT2AHSP90AA1MAPT | |
| SCHEMBL6830740 | 0.67 | CLK4 (0.55) | DYRK1ACLK4MAOBABCG2AURKA | |
| SCHEMBL9542512 | 0.65 | IKBKB (0.54) | ABCG2KMT2AMAPTKDM4ETP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4904672-A | Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors | MERCK & CO., INC. (US) | 1990-02-27 | — | — | US | claimed |
| 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 |