Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1461671 | 0.86 | KDM4E (0.49) | AOC3KDM4ESMN1; SMN2ALDH1A1GAA | |
| SCHEMBL7151000 | 0.85 | KDM4E (0.51) | AOC3KDM4ESMN1; SMN2ALDH1A1GAA | |
| SCHEMBL1032325 | 0.84 | CA12 (0.50) | SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL30969123 | 0.84 | HSD17B10 (0.57) | AOC3KDM4ESMN1; SMN2ALDH1A1GAA | |
| SCHEMBL151820 | 0.84 | HSD17B10 (0.57) | AOC3KDM4ESMN1; SMN2ALDH1A1GAA | |
| SCHEMBL10823796 | 0.84 | CYP3A4 (0.55) | AOC3KDM4ESMN1; SMN2ALDH1A1GAA | |
| SCHEMBL16793191 | 0.83 | AOC3 (0.55) | AOC3KDM4ESMN1; SMN2ALDH1A1GAA | |
| SCHEMBL7123571 | 0.82 | KDM4E (0.52) | AOC3KDM4ESMN1; SMN2ALDH1A1GAA | |
| SCHEMBL9504388 | 0.81 | KDM4E (0.55) | AOC3KDM4ESMN1; SMN2ALDH1A1GAA | |
| SCHEMBL27554389 | 0.80 | AOC3 (0.53) | AOC3KDM4ESMN1; SMN2ALDH1A1GAA |
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-115038451-A | Multimodal compositions and methods of treatment | 阿奎斯蒂弗医疗股份有限公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-115003279-A | Prodrug compositions and methods of treatment | 阿奎斯蒂弗医疗股份有限公司 | 2022-09-02 | — | — | CN | disclosed |
| CN-114805139-A | Prodrugs of ketamine, compositions and uses thereof | 凯瑞康宁生物工程（武汉）有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-108299437-B | Octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof | 广东东阳光药业有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-109988170-B | Octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof | 广东东阳光药业有限公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-109153649-B | Allosteric modulators of nicotinic acetylcholine receptors | 默沙东公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-111836798-B | Prodrugs of ketamine, compositions and uses thereof | 凯瑞康宁生物工程（武汉）有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-109988169-B | Octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof | 广东东阳光药业有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-109956945-B | Octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof | 广东东阳光药业有限公司 | 2022-01-11 | — | — | CN | disclosed |
| CN-107759620-B | Octahydropyrrolo [3,4-c ] pyrrole derivatives, methods of use, and uses thereof | 广东东阳光药业有限公司 | 2021-11-12 | — | — | CN | disclosed |
| CN-112119076-A | Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors | 默沙东公司 | 2020-12-22 | — | — | CN | disclosed |
| CN-111836798-A | Prodrugs of ketamine, compositions and uses thereof | 凯瑞康宁生物工程（武汉）有限公司 | 2020-10-27 | — | — | CN | disclosed |
| CN-111433212-A | Positive allosteric modulators of muscarinic acetylcholine receptor M4 | 范德比尔特大学 | 2020-07-17 | — | — | CN | disclosed |
| CN-111406058-A | Positive allosteric modulators of muscarinic acetylcholine receptor M4 | 范德比尔特大学 | 2020-07-10 | — | — | CN | disclosed |
| CN-111107846-A | Heteroaryl allosteric modulators of nicotinic acetylcholine receptors | 默沙东公司 | 2020-05-05 | — | — | CN | disclosed |
| CN-106986859-B | Indole derivatives and uses thereof | 广东东阳光药业有限公司 | 2020-02-11 | — | — | CN | disclosed |
| US-6743794-B2 | MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE | ELI LILLY AND COMPANY | 2004-06-01 | — | — | US | disclosed |