Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.45 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9868855 | 0.87 | ALOX5 (0.45) | ALOX5TNFRPS6KA3BRAFKDM4E | |
| SCHEMBL9869221 | 0.80 | HSP90AA1 (0.49) | ALOX5RPS6KA3MEN1KMT2ATDP1 | |
| SCHEMBL7503063 | 0.78 | MAPT (0.49) | ALOX5KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9869497 | 0.74 | ALOX5 (0.46) | ALOX5KDM4EMAPTTDP1GAA | |
| SCHEMBL31078826 | 0.72 | EP300 (0.39) | KDM4EMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL16768527 | 0.70 | TNF (0.43) | ALOX5TNFBRAFKDM4EALDH1A1 | |
| SCHEMBL657642 | 0.70 | BRAF (0.42) | ALOX5TNFRPS6KA3BRAFKDM4E | |
| SCHEMBL5620698 | 0.70 | ALDH1A1 (0.46) | ALOX5TNFRPS6KA3BRAFKDM4E | |
| SCHEMBL10745872 | 0.70 | ROCK1 (0.48) | KDM4EMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL11884982 | 0.69 | CYP2A6 (0.42) | RPS6KA3ROCK1CYP2A6 |
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-5006532-A | Enzyme inhibitor; antiinflammatory agents | MERCK & CO. INC., INC. (US) | 1991-04-09 | — | — | 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 |