Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 15/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 5/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7234572 | 0.78 | ATM (0.38) | CYP2A6 | |
| SCHEMBL21295791 | 0.75 | MAPT (0.43) | CYP3A4ALDH1A1CYP1A2KDM4EHPGD | |
| SCHEMBL4569991 | 0.73 | CYP2A6 (0.52) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL6474512 | 0.72 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL120088 | 0.71 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL30473120 | 0.71 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL29419014 | 0.71 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL4831090 | 0.69 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Benzene SCHEMBL27934930 | 0.69 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28275760 | 0.69 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114213353-A | Aryl-oxazole-oxazoline compound and preparation method and application thereof | 贵州大学 | 2022-03-22 | — | — | CN | claimed |
| CN-1829721-A | Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor | ASTRAZENECA AB (SE) | 2006-09-06 | — | — | CN | claimed |
| CN-114213353-B | Aryl-oxazole-oxazoline compound and preparation method and application thereof | 贵州大学 | 2023-04-14 | — | — | CN | disclosed |
| CN-114213353-A | Aryl-oxazole-oxazoline compound and preparation method and application thereof | 贵州大学 | 2022-03-22 | — | — | CN | disclosed |
| CN-109311844-B | Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component | 东曹株式会社 | 2021-07-20 | — | — | CN | disclosed |
| CN-112912372-A | Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element | 东曹株式会社 | 2021-06-04 | — | — | CN | disclosed |
| WO-2020085319-A1 | CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 | 2020-04-30 | — | — | WO | disclosed |
| WO-2019163959-A1 | CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 | 2019-08-29 | — | — | WO | disclosed |
| US-20110229923-A1 | CRYSTAL OF A CYTOCHROME-LIGAND COMPLEX AND METHODS OF USE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2011-09-22 | — | — | US | disclosed |
| US-20090022732-A1 | Crystal of a cytochrome-ligand complex and methods of use | THE SCRIPPS RESEARCH INSTITUTE | 2009-01-22 | — | — | US | disclosed |
| CN-1829721-A | Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor | ASTRAZENECA AB (SE) | 2006-09-06 | — | — | CN | disclosed |
| CN-1240707-C | 2-Halo-6-0-substituted ketolide derivatives | ABBOTT LAB (US) | 2006-02-08 | — | — | CN | disclosed |
| EP-1027362-B1 | 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES | ABBOTT LAB (US) | 2005-06-29 | — | — | EP | disclosed |
| CN-1283199-A | 2-Halo-6-0-substituted ketolide derivatives | ABBOTT LAB (US) | 2001-02-07 | — | — | CN | disclosed |
| US-6124269-A | NOVEL ERYTHROMYCIN DERIVATIVE ANTIBIOTIC EFFECTIVE AGAINST GRAM-NEGATIVE BACTERIA AND HAVING LESS POTENTIAL FOR DEVELOPING BACTERIAL DRUG RESISTANCE | ABBOTT LABORATORIES (US) | 2000-09-26 | — | — | US | disclosed |
| EP-1027362-A1 | 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES | Abbott Laboratories (US) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999021871-A1 | 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES | ABBOTT LABORATORIES (US) | 1999-05-06 | — | — | WO | disclosed |