Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.30 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28368399 | 0.93 | CYP1A2 (0.34) | CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL29013569 | 0.89 | CYP1A2 (0.32) | CYP2D6CHRM2CHRM1KCNH2 | |
| SCHEMBL10946626 | 0.79 | CYP2D6 (0.32) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL10881574 | 0.78 | CYP2D6 (0.30) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| Ethyl Acetate SCHEMBL28364559 | 0.78 | ALDH1A1 (0.47) | CYP2D6CHRM2CHRM1KCNH2CYP3A4 | |
| SCHEMBL21810986 | 0.76 | CHRM2 (0.39) | CYP19A1CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL7872652 | 0.76 | CYP19A1 (0.30) | CYP19A1 | |
| SCHEMBL3624573 | 0.74 | — | — | |
| SCHEMBL238491 | 0.74 | — | — | |
| SCHEMBL7611041 | 0.74 | EPHX1 (0.30) | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110878013-A | Synthesis method of (trans ) -4-vinyl-4' - [ (E) -1-propenyl ] -bicyclohexane | 西安瑞联新材料股份有限公司 | 2020-03-13 | — | — | CN | claimed |
| CN-110790650-A | Synthesis method of trans-4 '- (4-alkyl phenyl) (1, 1' -dicyclohexyl) -4-ketone | 西安瑞联新材料股份有限公司 | 2020-02-14 | — | — | CN | claimed |
| CN-103086848-B | Dicyclohexylalkyl ether terminal olefines liquid crystal compound and preparation method thereof | YANTAI DERUN LIQUID CRYSTAL MATERIALS CO LTD | 2014-09-03 | — | — | CN | claimed |
| CN-110878013-B | Synthesis method of (trans ) -4-vinyl-4' - [ (E) -1-propenyl ] -bicyclohexane | 西安瑞联新材料股份有限公司 | 2023-04-28 | — | — | CN | disclosed |
| CN-112898133-B | Preparation method of trans-ketone intermediate | 河北迈尔斯通电子材料有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-112898133-B | Preparation method of trans-ketone intermediate | 河北迈尔斯通电子材料有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-113045385-B | Method for synthesizing aliphatic pinacol | 广东工业大学 | 2022-08-02 | — | — | CN | disclosed |
| CN-113045385-A | Method for synthesizing aliphatic pinacol | 广东工业大学 | 2021-06-29 | — | — | CN | disclosed |
| CN-112898133-A | Preparation method of trans-ketone intermediate | 河北迈尔斯通电子材料有限公司 | 2021-06-04 | — | — | CN | disclosed |
| CN-112898133-A | Preparation method of trans-ketone intermediate | 河北迈尔斯通电子材料有限公司 | 2021-06-04 | — | — | CN | disclosed |
| CN-110878013-A | Synthesis method of (trans ) -4-vinyl-4' - [ (E) -1-propenyl ] -bicyclohexane | 西安瑞联新材料股份有限公司 | 2020-03-13 | — | — | CN | disclosed |
| EP-1206449-A1 | LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-05-22 | — | — | EP | disclosed |
| EP-1196436-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001007407-A1 | LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-02-01 | — | — | WO | disclosed |
| WO-2001002424-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-01-11 | — | — | WO | disclosed |
| US-5792772-A | ADMINISTERING 5-HYDROXYALKYL-3,7-DISUBSTITUTED OR NON-SUBSTITUTED PURINE COMPOUND TO TREAT AUTOIMMUNE DISORDERS | CELL THERAPEUTICS, INC. (US) | 1998-08-11 | — | — | US | disclosed |
| US-5580874-A | THERAPY FOR SIDE EFFECTS OF IMMUNOSUPPRESSIVE AGENTS | CELL THERAPEUTICS, INC. (US) | 1996-12-03 | — | — | US | disclosed |
| EP-0584347-A4 | ENANTIOMERIC HYDROXYLATED XANTHINE COMPOUNDS. | CELL THERAPEUTICS INC (US) | 1995-04-26 | — | — | EP | disclosed |
| EP-0584347-A1 | ENANTIOMERIC HYDROXYLATED XANTHINE COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1994-03-02 | — | — | EP | disclosed |
| WO-1993017684-A2 | ENANTIOMERIC HYDROXYLATED XANTHINE COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1993-09-16 | — | — | WO | disclosed |