Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 4/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.44 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.44 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 3/20 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL14721889 | 0.84 | PKM (0.40) | PKMTSHRCYP2B6MAOBMAOA | |
| Naphthoquinone SCHEMBL28256145 | 0.82 | IDO1 (0.48) | PKMTSHRCYP2B6MAOBMAOA | |
| SCHEMBL3104230 | 0.79 | PKM (0.52) | PKMTSHRMAOBMAOAIDO1 | |
| SCHEMBL25135417 | 0.78 | PKM (0.48) | PKMTSHRCYP2B6MAOBMAOA | |
| SCHEMBL10463800 | 0.76 | PKM (0.39) | PKMTSHRCYP2B6IDO1CA1 | |
| SCHEMBL1823052 | 0.74 | APP (0.43) | PKMTSHRCA1CA9CYP19A1 | |
| SCHEMBL7962239 | 0.74 | CA1 (0.36) | CYP2B6CA1CA9CYP1A1CYP1A2 | |
| SCHEMBL13415918 | 0.73 | MAOA (0.50) | PKMTSHRMAOBMAOAIDO1 | |
| SCHEMBL1201980 | 0.71 | — | — | |
| SCHEMBL7509071 | 0.70 | ABCG2 (0.58) | PKMTSHRCYP2B6MAOBMAOA |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112552276-B | Benzoxepin-5-ketone compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-03-21 | — | — | CN | claimed |
| CN-112552276-A | Benzoxepin-5-ketone compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-03-26 | — | — | CN | claimed |
| EP-0025109-B1 | 1-BENZOXEPIN-5(2H)-ONE DERIVATIVES AND THEIR SALTS, AND PROCESSES FOR THEIR PREPARATION | Kali-Chemie Pharma GmbH (DE) | 1985-05-15 | — | — | EP | claimed |
| US-4279905-A | GASTROINTESTINAL DISORDERS | KALI-CHEMIE PHARMA GMBH (DE) | 1981-07-21 | — | — | US | claimed |
| EP-0025109-A2 | 1-Benzoxepin-5(2H)-one derivatives and their salts, and processes for their preparation | Kali-Chemie Pharma GmbH (DE) | 1981-03-18 | — | — | EP | claimed |
| CN-112552276-B | Benzoxepin-5-ketone compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-03-21 | — | — | CN | disclosed |
| CN-112552276-B | Benzoxepin-5-ketone compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-03-21 | — | — | CN | disclosed |
| CN-112552276-A | Benzoxepin-5-ketone compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-03-26 | — | — | CN | disclosed |
| EP-1204665-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR | Millennium Pharmaceuticals, Inc. (US) | 2002-05-15 | — | — | EP | disclosed |
| EP-1204640-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR | Millennium Pharmaceuticals, Inc. (US) | 2002-05-15 | — | — | EP | disclosed |
| EP-1204664-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR | Millennium Pharmaceuticals, Inc. (US) | 2002-05-15 | — | — | EP | disclosed |
| EP-1109815-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR | Millennium Pharmaceuticals, Inc. (US) | 2001-06-27 | — | — | EP | disclosed |
| EP-0025109-B1 | 1-BENZOXEPIN-5(2H)-ONE DERIVATIVES AND THEIR SALTS, AND PROCESSES FOR THEIR PREPARATION | Kali-Chemie Pharma GmbH (DE) | 1985-05-15 | — | — | EP | disclosed |
| EP-0107979-A1 | Novel phenyl-substituted sulfonamides | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-05-09 | — | — | EP | disclosed |
| US-4320061-A | ANTISPASMODIC AGENTS | KALI-CHEMIE PHARMA GMBH (DE) | 1982-03-16 | — | — | US | disclosed |
| US-4279905-A | GASTROINTESTINAL DISORDERS | KALI-CHEMIE PHARMA GMBH (DE) | 1981-07-21 | — | — | US | disclosed |
| US-4279905-A | GASTROINTESTINAL DISORDERS | KALI-CHEMIE PHARMA GMBH (DE) | 1981-07-21 | — | — | US | disclosed |
| EP-0025109-A2 | 1-Benzoxepin-5(2H)-one derivatives and their salts, and processes for their preparation | Kali-Chemie Pharma GmbH (DE) | 1981-03-18 | — | — | EP | disclosed |
| US-4012411-A | Heterocyclic annelated 1-benzoxepin-5-ones | WARNER-LAMBERT COMPANY (US) | 1977-03-15 | — | — | US | disclosed |
| US-4012411-A | Heterocyclic annelated 1-benzoxepin-5-ones | WARNER-LAMBERT COMPANY (US) | 1977-03-15 | — | — | US | disclosed |