Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ASPH | Q12797 | 1/20 | 0.47 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27834556 | 0.87 | KDM4E (0.48) | KDM4EASPHKDM8HDAC3HDAC4 | |
| SCHEMBL23040969 | 0.80 | TLR7 (0.49) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29417322 | 0.80 | TLR7 (0.49) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL6379087 | 0.76 | MEN1 (0.49) | KDM4EASPHKDM8HDAC3HDAC4 | |
| SCHEMBL29396220 | 0.76 | HDAC3 (0.45) | KDM4EASPHKDM8HDAC3HDAC4 | |
| SCHEMBL28788200 | 0.72 | L3MBTL1 (0.52) | KDM4EASPHKDM8HDAC3HDAC4 | |
| SCHEMBL27814682 | 0.72 | PLK1 (0.49) | KDM4EHDAC3HDAC4HDAC1HDAC6 | |
| SCHEMBL3037620 | 0.71 | GAA (0.49) | KDM4EASPHKDM8HDAC3HDAC4 | |
| SCHEMBL26767103 | 0.71 | GAA (0.49) | KDM4EASPHKDM8HDAC3HDAC4 | |
| SCHEMBL27711230 | 0.71 | CA12 (0.48) | KDM4EASPHKDM8ALDH1A1MEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828703-A1 | ASYMMETRIC SYNTHESIS OF (-) 6-CHLORO-4-CYCLOPROPYL-ETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | Merck & Co., Inc. (US) | 1998-03-18 | — | — | EP | claimed |
| US-5633405-A | REACTING SUBSTITUTED NOREPHEDRINE WITH CYCLOPROPYLACETYLENE AND LITHIATING AGENT IN APROTIC SOLVENT, MIXING WITH ANILINE TRIFLUOROMETHYL KETONE, QUENCHING WITH PROTON SOURCE | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | claimed |
| WO-1996037457-A1 | ASYMMETRIC SYNTHESIS OF (-) 6-CHLORO-4-CYCLOPROPYL-ETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | MERCK & CO., INC. (US) | 1996-11-28 | — | — | WO | claimed |
| CN-102127030-A | 4-(substituted-1,3-dialkynyl)-4-(trifluoromethyl)benzo-1,4-dihydroxazole-2-one compounds and preparation method and applications thereof | UNIV TIANJIN | 2011-07-20 | — | — | CN | disclosed |
| EP-0828703-B1 | ASYMMETRIC SYNTHESIS OF (-) 6-CHLORO-4-CYCLOPROPYL-ETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | MERCK & CO INC (US) | 2000-09-20 | — | — | EP | disclosed |
| EP-0828703-A1 | ASYMMETRIC SYNTHESIS OF (-) 6-CHLORO-4-CYCLOPROPYL-ETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | Merck & Co., Inc. (US) | 1998-03-18 | — | — | EP | disclosed |
| US-5698741-A | HIV REVERSE TRANSCRIPTASE INHIBITOR | MERCK & CO. INC. (US) | 1997-12-16 | — | — | US | disclosed |
| US-5633405-A | REACTING SUBSTITUTED NOREPHEDRINE WITH CYCLOPROPYLACETYLENE AND LITHIATING AGENT IN APROTIC SOLVENT, MIXING WITH ANILINE TRIFLUOROMETHYL KETONE, QUENCHING WITH PROTON SOURCE | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| WO-1996037457-A1 | ASYMMETRIC SYNTHESIS OF (-) 6-CHLORO-4-CYCLOPROPYL-ETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | MERCK & CO., INC. (US) | 1996-11-28 | — | — | WO | disclosed |