Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 3/20 | 0.40 |
| ▸ | PLK4 | O00444 | 2/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9869497 | 0.90 | ALOX5 (0.46) | ALOX5KDM4EGAAHTTHSD17B10 | |
| SCHEMBL9870113 | 0.86 | CNR1 (0.45) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL9869492 | 0.83 | CYP3A4 (0.44) | ALOX5KDM4EALDH1A1GAACYP3A4 | |
| SCHEMBL9869471 | 0.76 | BRAF (0.37) | ALOX5KDM4EALDH1A1GLAGAA | |
| SCHEMBL9869590 | 0.76 | CNR1 (0.48) | KDM4EALDH1A1GAABACE1CYP2C9 | |
| SCHEMBL9869072 | 0.75 | KDM4E (0.48) | ALOX5KDM4EALDH1A1GAAHPGD | |
| SCHEMBL9868855 | 0.74 | ALOX5 (0.45) | ALOX5KDM4EALDH1A1GLAGAA | |
| SCHEMBL657642 | 0.71 | BRAF (0.42) | ALOX5KDM4EALDH1A1GLAGAA | |
| SCHEMBL5620698 | 0.71 | ALDH1A1 (0.46) | ALOX5KDM4EALDH1A1GLAGAA | |
| SCHEMBL10740859 | 0.71 | BACE1 (0.50) | ALOX5KDM4EALDH1A1GAAHPGD |
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 |