Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | KLK7 | P49862 | 2/20 | 0.46 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29814619 | 1.00 | NPC1 (0.52) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL769313 | 0.90 | NPC1 (0.54) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL10334859 | 0.88 | MAOB (0.52) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL31279913 | 0.88 | MAOB (0.52) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL17261613 | 0.83 | MAOB (0.53) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL6348515 | 0.81 | MAOB (0.46) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL6337356 | 0.81 | MAOB (0.48) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL7605647 | 0.81 | GRM5 (0.49) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL172911 | 0.80 | MAPT (0.63) | NPC1RAB9AKDM4EALDH1A1GAA | |
| Cyclopropane SCHEMBL28516873 | 0.79 | MAOB (0.59) | NPC1RAB9AALDH1A1HPGDSMN1; SMN2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111518117-B | 1, 2-oxazinopyran compound and preparation method and application thereof | 西安凯新生物科技有限公司 | 2022-08-26 | — | — | CN | claimed |
| CN-111518117-A | 1, 2-oxazinopyran compound and preparation method and application thereof | 朱翠萍 | 2020-08-11 | — | — | CN | claimed |
| CN-111518117-B | 1, 2-oxazinopyran compound and preparation method and application thereof | 西安凯新生物科技有限公司 | 2022-08-26 | — | — | CN | disclosed |
| CN-111518117-A | 1, 2-oxazinopyran compound and preparation method and application thereof | 朱翠萍 | 2020-08-11 | — | — | CN | disclosed |
| US-6166031-A | Substituted tetralins, chromans and related compounds in the treatment of asthma | PFIZER INC, (US) | 2000-12-26 | — | — | US | disclosed |
| EP-0641792-A1 | 1,2-Dithiole derivatives and therapeutic agents containing them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1995-03-08 | — | — | EP | disclosed |
| EP-0313295-B1 | SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES | PFIZER INC. (US) | 1993-07-28 | — | — | EP | disclosed |
| US-5059609-A | Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions | PFIZER INC. (US) | 1991-10-22 | — | — | US | disclosed |
| US-4937246-A | ABSORBED EASILY FROM INTESTINES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-06-26 | — | — | US | disclosed |
| EP-0313295-A2 | Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases | PFIZER INC. (US) | 1989-04-26 | — | — | EP | disclosed |
| EP-0313296-A2 | Substituted chromans and related compounds in the treatment of asthma | PFIZER INC. (US) | 1989-04-26 | — | — | EP | disclosed |
| US-4179516-A | Ethers of 3,4-dihydro-1-benzoxepin-5-one oxime to treat intestinal disorders | ALBERT ROLLAND, S.A. (FR) | 1979-12-18 | — | — | US | disclosed |