Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 5/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2648388 | 0.85 | DGAT1 (0.42) | DGAT1CYP2D6CA2CA12CA14 | |
| SCHEMBL12305755 | 0.80 | — | — | |
| SCHEMBL29015869 | 0.80 | TRPA1 (0.46) | DGAT1CYP2D6AKT1TRPA1ALDH1A1 | |
| SCHEMBL38493 | 0.80 | — | — | |
| SCHEMBL28247512 | 0.80 | STING1 (0.36) | FAAHDGAT1CYP2D6AKT1TRPA1 | |
| SCHEMBL241533 | 0.80 | DGAT1 (0.46) | DGAT1CYP2D6ALDH1A1CA2CA12 | |
| SCHEMBL10833684 | 0.79 | TDP1 (0.38) | DGAT1CYP2D6CA2CA12CA14 | |
| SCHEMBL182237 | 0.79 | TDP1 (0.41) | DGAT1CYP2D6ALDH1A1CA2CA12 | |
| Ammonia Solution, Strong SCHEMBL22577671 | 0.78 | TRPA1 (0.44) | DGAT1CYP2D6AKT1TRPA1ALDH1A1 | |
| SCHEMBL15456193 | 0.78 | TRPA1 (0.44) | DGAT1CYP2D6AKT1TRPA1ALDH1A1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61000063-A | — | — | None | — | — | JP | disclosed |
| CN-109574830-B | Rosuvastatin calcium intermediate, and preparation method and application thereof | 浙江宏元药业股份有限公司 | 2021-04-13 | — | — | CN | disclosed |
| CN-109503542-B | Atorvastatin calcium intermediate and preparation method and application thereof | 浙江宏元药业股份有限公司 | 2020-08-18 | — | — | CN | disclosed |
| CN-110172051-A | IRE-1 alpha inhibitor | 复星弘创(苏州)医药科技有限公司 | 2019-08-27 | — | — | CN | disclosed |
| CN-107082770-B | IRE-1 alpha inhibitor | 复星弘创(苏州)医药科技有限公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-109574830-A | A kind of rosuvastain calcium intermediate and its preparation method and application | 浙江宏元药业股份有限公司 | 2019-04-05 | — | — | CN | disclosed |
| CN-109503542-A | A kind of Atorvastatin calcium intermediate and its preparation method and application | 浙江宏元药业股份有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-1158241-C | Processfor prepn. of 2-nialkyl 4-bromo-acetoacetic ester | ס�ѻ�ѧ��ҵ��ʽ���� | 2004-07-21 | — | — | CN | disclosed |
| EP-0999202-B1 | Process for producing 2-alkylidene-4-bromoacetoacetic acid ester | SUMITOMO CHEMICAL CO (JP) | 2003-03-19 | — | — | EP | disclosed |
| US-6469200-B1 | A PROCESS WHICH CAN PROVIDE THE DESIRED 2-ALKYLIDENE-4-BROMOACETOACETIC ACID ESTER BY USING, AS A STARTING MATERIAL, A 4-BROMOACETOACETIC ACID ESTER WHICH CAN BE READILY DERIVED FROM AN ACETOACETIC ACID ESTER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-10-22 | — | — | US | disclosed |
| CN-1255488-A | Processfor prepn. of 2-nialkyl 4-bromo-acetoacetic ester | SUMITOMO CHEM ENG (JP) | 2000-06-07 | — | — | CN | disclosed |
| EP-0999202-A1 | Process for producing 2-alkylidene-4-bromoacetoacetic acid ester | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-05-10 | — | — | EP | disclosed |
| EP-0339764-B1 | PROCESS FOR PREPARING CARNITINE | Takasago International Corporation (JP) | 1992-06-24 | — | — | EP | disclosed |
| US-4895979-A | HYDROGENATION OF GAMMA-HALO-BETA-KETO ESTER, RUTHENIUM-OPTICALLY ACTIVE PHOSPHINE CATALYST, QUATERNIZATION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1990-01-23 | — | — | US | disclosed |
| EP-0339764-A1 | Process for preparing carnitine | Takasago International Corporation (JP) | 1989-11-02 | — | — | EP | disclosed |
| US-4716158-A | CEPHALOSPORINS SUITABLE FOR ORAL ADMINISTRATION | SANKYO COMPANY LIMITED (JP) | 1987-12-29 | — | — | US | disclosed |
| EP-0049118-B1 | CEPHALOSPORIN DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | SANKYO COMPANY LIMITED (JP) | 1986-04-23 | — | — | EP | disclosed |
| JP-S6163-A | 2-ALKOXYIMINOBUTYRIC ACID DERIVATIVE | SANKYO CO LTD | 1986-01-06 | — | — | JP | disclosed |
| US-4486425-A | ANTIBIOTICS | SANKYO COMPANY LIMITED (JP) | 1984-12-04 | — | — | US | disclosed |
| EP-0049118-A2 | Cephalosporin derivatives, their preparation and compositions containing them | SANKYO COMPANY LIMITED (JP) | 1982-04-07 | — | — | EP | disclosed |