Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ADH1B | P00325 | 2/20 | 0.43 |
| ▸ | ADH1C | P00326 | 2/20 | 0.43 |
| ▸ | ADH1A | P07327 | 2/20 | 0.43 |
| ▸ | ADH7 | P40394 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | ADH4 | P08319 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 5/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Nonane SCHEMBL28017707 | 0.97 | TSHR (0.52) | TSHRTHRBADH1BADH1CADH1A | |
| Hexane SCHEMBL28112404 | 0.97 | TSHR (0.46) | TSHRTHRBADH1BADH1CADH1A | |
| Octane SCHEMBL27662924 | 0.97 | TSHR (0.52) | TSHRTHRBADH1BADH1CADH1A | |
| Heptane SCHEMBL27819055 | 0.97 | TSHR (0.52) | TSHRTHRBADH1BADH1CADH1A | |
| Octane SCHEMBL28184706 | 0.94 | TSHR (0.50) | TSHRTHRBADH1BADH1CADH1A | |
| Heptane SCHEMBL28185364 | 0.94 | TSHR (0.50) | TSHRTHRBADH1BADH1CADH1A | |
| Pentane SCHEMBL8157918 | 0.93 | — | — | |
| Pentane SCHEMBL28169289 | 0.90 | TSHR (0.44) | TSHRTHRBADH1BADH1CADH1A | |
| Butane SCHEMBL27882895 | 0.86 | — | — | |
| Formic Acid Methyl Ester SCHEMBL27670134 | 0.84 | MEN1 (0.52) | TSHRTHRBALDH1A1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115776887-A | MDM2 degrading agents and uses thereof | 凯麦拉医疗公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-106061947-B | Cyclohexyl sulfone ROR gamma modulators | 百时美施贵宝公司 | 2019-12-03 | — | — | CN | disclosed |
| CN-105899507-B | Aryl sultam derivative as RORc regulator | 豪夫迈·罗氏有限公司 | 2019-06-07 | — | — | CN | disclosed |
| CN-106061971-B | Pyrrolidinyl sulfone derivatives and their use as ROR gamma modulators | 百时美施贵宝公司 | 2019-03-12 | — | — | CN | disclosed |
| CN-109311857-A | Pyrimidin-2-ylamino-1H-pyrazoles as LRRK2 inhibitors for the treatment of neurodegenerative disorders | 戴纳立制药公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-105431416-B | 4- alkynyl imdazole derivatives and contain its drug as effective component | 科研制药株式会社 | 2019-01-08 | — | — | CN | disclosed |
| CN-104684560-B | Compound as S1P conditioning agents and/or ATX conditioning agents | 比奥根艾迪克MA公司 | 2018-08-17 | — | — | CN | disclosed |
| CN-104428293-B | Adjust the benzimidazole of TNF α | UCB生物制药私人有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-107207395-A | The manufacture method of p-methylbenzoic acid | 东丽株式会社 | 2017-09-26 | — | — | CN | disclosed |
| CN-106459017-A | Heterocyclic carboxylic acids as activators of soluble guanylate cyclase | 勃林格殷格翰国际有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106170478-A | GPR142 agonist compound | 伊莱利利公司 | 2016-11-30 | — | — | CN | disclosed |
| CN-104619709-B | Imidazopyridine derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-106061971-A | Pyrrolidinyl sulfone derivatives and their use as ROR gamma modulators | 百时美施贵宝公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-105899507-A | Aryl sultam derivatives as rorc modulators | 豪夫迈·罗氏有限公司 | 2016-08-24 | — | — | CN | disclosed |
| US-8178509-B2 | Method to treat sickle cell disease | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2012-05-15 | — | — | US | disclosed |
| US-4641665-A | USING MIXTURE OF EXPANSION RESINS, THEN HEATING AND/OR DEPRESSURIZATION | BRITISH-AMERICAN TOBACCO COMPANY LIMITED (GB) | 1987-02-10 | — | — | US | disclosed |