Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 5/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL9868850 | 0.89 | HSP90AA1 (0.46) | HSP90AA1ATML3MBTL1TDP1CNR1 | |
| SCHEMBL9869277 | 0.80 | ALOX5 (0.45) | TDP1RPS6KA3MEN1KMT2AALOX5 | |
| SCHEMBL9869590 | 0.79 | CNR1 (0.48) | HSP90AA1ATML3MBTL1TDP1CNR1 | |
| SCHEMBL4724741 | 0.74 | KDM4E (0.53) | HSP90AA1ATML3MBTL1TDP1CNR1 | |
| SCHEMBL10742819 | 0.71 | L3MBTL1 (0.48) | HSP90AA1ATML3MBTL1TDP1CNR1 | |
| SCHEMBL9870113 | 0.71 | CNR1 (0.45) | HSP90AA1ATML3MBTL1TDP1CNR1 | |
| SCHEMBL4856080 | 0.71 | ALDH1A1 (0.59) | ATML3MBTL1MEN1KMT2A | |
| SCHEMBL4765975 | 0.70 | KDM4E (0.46) | HSP90AA1ATML3MBTL1TDP1CNR1 | |
| SCHEMBL31078826 | 0.70 | EP300 (0.39) | TDP1MEN1KMT2AACHE | |
| SCHEMBL9868855 | 0.68 | ALOX5 (0.45) | TDP1RPS6KA3MEN1KMT2AALOX5 |
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 |