Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6497297 | 0.81 | CES1 (0.58) | CES1KCNN4TSHRHDAC3HDAC4 | |
| SCHEMBL28615437 | 0.81 | KCNN4 (0.62) | CES1KCNN4TSHRHDAC3HDAC4 | |
| SCHEMBL28627442 | 0.79 | MAPT (0.57) | CES1KCNN4TSHRHDAC3HDAC4 | |
| SCHEMBL4447296 | 0.79 | HDAC3 (0.63) | CES1KCNN4TSHRHDAC3HDAC4 | |
| SCHEMBL2028141 | 0.79 | CES1 (0.54) | CES1KCNN4TSHRHDAC3HDAC4 | |
| SCHEMBL1454439 | 0.79 | CES1 (0.63) | CES1KCNN4TSHRHDAC3HDAC4 | |
| SCHEMBL5580542 | 0.79 | CES1 (0.69) | CES1KCNN4TSHRHDAC3HDAC4 | |
| SCHEMBL1585516 | 0.78 | CES1 (0.68) | CES1KCNN4TSHRHDAC3HDAC4 | |
| SCHEMBL2586906 | 0.76 | CES1 (0.66) | CES1KCNN4TSHRHDAC3HDAC4 | |
| SCHEMBL6964069 | 0.76 | CES1 (0.66) | CES1KCNN4TSHRHDAC3HDAC4 |
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 |