Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9870371 | 0.88 | KDM4E (0.40) | KDM4EALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9869232 | 0.77 | ALOX5 (0.46) | KDM4EALDH1A1ALOX5MAPTHPGD | |
| SCHEMBL9869116 | 0.77 | KDM4E (0.43) | KDM4EALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9869497 | 0.75 | ALOX5 (0.46) | KDM4EALOX5MAPTBACE1TDP1 | |
| SCHEMBL9868772 | 0.75 | ALOX5 (0.46) | KDM4EALDH1A1ALOX5HPGDBACE1 | |
| SCHEMBL9541007 | 0.75 | KDM4E (0.47) | KDM4EALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9869492 | 0.74 | CYP3A4 (0.44) | KDM4EALDH1A1ALOX5MAPTTDP1 | |
| SCHEMBL16475088 | 0.74 | KDM4E (0.61) | KDM4EALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9869589 | 0.73 | LIMK1 (0.41) | KDM4EALDH1A1ALOX5MAPTTDP1 | |
| SCHEMBL27449106 | 0.70 | LIMK1 (0.56) | KDM4EALDH1A1MAPTHPGDTDP1 |
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 |