Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK1 | P53667 | 3/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | CLK1 | P49759 | 2/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17868060 | 0.79 | LIMK1 (0.51) | LIMK1IKBKBCHUKALDH1A1KDM4E | |
| SCHEMBL9869902 | 0.78 | DYRK1A (0.50) | ALDH1A1KDM4EKAT2BMEN1MAPT | |
| SCHEMBL9869072 | 0.73 | KDM4E (0.48) | LIMK1IKBKBCHUKALDH1A1KDM4E | |
| SCHEMBL9539962 | 0.72 | KDM4E (0.57) | LIMK1IKBKBCHUKALDH1A1KDM4E | |
| SCHEMBL6264945 | 0.72 | KDM4E (0.50) | LIMK1IKBKBCHUKALDH1A1KDM4E | |
| SCHEMBL7503063 | 0.72 | MAPT (0.49) | ALDH1A1KDM4EALOX5MEN1MAPT | |
| SCHEMBL9869116 | 0.71 | KDM4E (0.43) | ALDH1A1KDM4EPIK3CAMAPTKMT2A | |
| SCHEMBL9543758 | 0.71 | TRPM8 (0.40) | LIMK1IKBKBCHUKKDM4ECLK1 | |
| SCHEMBL9558790 | 0.71 | IKBKB (0.50) | LIMK1IKBKBCHUKALDH1A1KDM4E | |
| SCHEMBL9868860 | 0.70 | ALOX5 (0.41) | LIMK1ALDH1A1KDM4EALOX5MEN1 |
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 |