Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 3/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9868772 | 0.90 | ALOX5 (0.46) | ALOX5BACE1PDE4APDE4BPDE4C | |
| SCHEMBL9869590 | 0.86 | CNR1 (0.48) | BACE1CNR1CNR2CYP2C9CYP2C19 | |
| SCHEMBL9869492 | 0.83 | CYP3A4 (0.44) | ALOX5CNR1CNR2CYP3A4CYP2A6 | |
| SCHEMBL9870113 | 0.76 | CNR1 (0.45) | BACE1CNR1CNR2CYP2C9CYP2C19 | |
| SCHEMBL9869072 | 0.75 | KDM4E (0.48) | ALOX5BACE1PDE4APDE4BPDE4C | |
| SCHEMBL9869277 | 0.74 | ALOX5 (0.45) | ALOX5CYP2A6TDP1NPC1RAB9A | |
| SCHEMBL10740859 | 0.73 | BACE1 (0.50) | ALOX5BACE1CNR1CNR2DHODH | |
| SCHEMBL10742466 | 0.70 | MAPK1 (0.47) | ALOX5BACE1PDE4APDE4BPDE4C | |
| SCHEMBL9869232 | 0.68 | ALOX5 (0.46) | ALOX5BACE1PDE4APDE4BPDE4C | |
| SCHEMBL4852010 | 0.68 | KDM4E (0.46) | HTTKDM4EGAAHSD17B10 |
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 |