Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 5/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.37 |
| ▸ | ADH1C | P00326 | 1/20 | 0.37 |
| ▸ | ADH1A | P07327 | 1/20 | 0.37 |
| ▸ | ADH4 | P08319 | 1/20 | 0.37 |
| ▸ | ADH7 | P40394 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 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 | |
|---|---|---|---|---|
| Heptane SCHEMBL17938082 | 0.97 | TSHR (0.53) | TDP1TSHRTHRBOPRM1MEN1 | |
| Hexane SCHEMBL9763768 | 0.97 | TDP1 (0.53) | TDP1TSHRTHRBOPRM1MEN1 | |
| Heptane SCHEMBL2515743 | 0.94 | TSHR (0.50) | TDP1TSHRTHRBOPRM1MEN1 | |
| Heptane SCHEMBL29087108 | 0.94 | TSHR (0.50) | TDP1TSHRTHRBOPRM1MEN1 | |
| Hexane SCHEMBL4864214 | 0.86 | TDP1 (0.42) | TDP1TSHRTHRBOPRM1MEN1 | |
| SCHEMBL17257950 | 0.84 | TSHR (0.65) | TDP1TSHRTHRBALDH1A1EPHX1 | |
| Butylamine SCHEMBL2810676 | 0.82 | DNM1 (0.48) | TDP1TSHROPRM1MEN1KMT2A | |
| SCHEMBL9316767 | 0.82 | TDP1 (0.44) | TDP1TSHRTHRBOPRM1MEN1 | |
| SCHEMBL3327682 | 0.82 | TDP1 (0.44) | TDP1TSHRTHRBOPRM1MEN1 | |
| SCHEMBL449933 | 0.82 | TSHR (0.55) | TDP1TSHRMEN1FAAHMAPK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112592275-A | Preparation method of isobutyl 5-chloro-2, 2-dimethylpentanoate | 杭州宇龙化工有限公司 | 2021-04-02 | — | — | CN | claimed |
| CN-112592275-A | Preparation method of isobutyl 5-chloro-2, 2-dimethylpentanoate | 杭州宇龙化工有限公司 | 2021-04-02 | — | — | CN | disclosed |
| CN-107011330-A | BRUTON'S TYROSINE KINASE INHIBITORS | 比奥根MA公司 | 2017-08-04 | — | — | CN | disclosed |
| CN-102711473-B | Bruton's tyrosine kinase inhibitors | 比奥根MA公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-101312965-B | Morpholine type cinnamamide compound | EISAI R&D MAN CO LTD | 2011-07-20 | — | — | CN | disclosed |
| CN-101312965-A | Morpholine type cinnamamide compound | EISAI R&D MAN CO LTD (JP) | 2008-11-26 | — | — | CN | disclosed |
| US-5021439-A | Senile dementia and memory dysfunction | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-06-04 | — | — | US | disclosed |
| EP-0367393-A2 | New heterocyclic compounds, production and use thereof | Takeda Chemical Industries, Ltd. (JP) | 1990-05-09 | — | — | EP | disclosed |