Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4630824 | 0.76 | KDM4E (0.48) | KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4630827 | 0.76 | KDM4E (0.48) | KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3906029 | 0.76 | KDM4E (0.57) | KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3906030 | 0.76 | KDM4E (0.57) | KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2782027 | 0.74 | ALDH1A1 (0.39) | CYP1A2ALDH1A1TSHRKCNN4MAOB | |
| SCHEMBL28901983 | 0.72 | ALDH1A1 (0.38) | CYP1A2ALDH1A1TSHRKCNN4MAOB | |
| SCHEMBL4887210 | 0.72 | KDM4E (0.48) | KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6130600 | 0.72 | CYP2C19 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL863162 | 0.72 | KDM4E (0.44) | KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL17629414 | 0.72 | CYP2C19 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1080082-B1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2004-10-06 | — | — | EP | disclosed |
| US-6350878-B1 | BASIFICATION AND IODINATION OF ALDEHYDE | NOVARTIS AG (CH) | 2002-02-26 | — | — | US | disclosed |
| US-5246960-A | Used to treat obesity, hyperlipaemia, atherosclerosis and arteriosclerosis | HOFFMANN-LA ROCHE INC. (US) | 1993-09-21 | — | — | US | disclosed |
| US-5175186-A | Inhibits pancreas lepase and useful agent in treatment of obesity, hyperlipemia, atherosclerosis and arteriosclerosis | HOFFMANN-LA ROCHE INC. (US) | 1992-12-29 | — | — | US | disclosed |
| US-5120848-A | Anticholesterol and antilipemic agents; hydroxy-3-methylglutaryl/3-/ coenzyme A reductase inhibitors | GLAXO GROUP LIMITED (GB) | 1992-06-09 | — | — | US | disclosed |
| US-5110940-A | Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase | BRISTOL-MYERS COMPANY (US) | 1992-05-05 | — | — | US | disclosed |
| WO-1991018903-A1 | PYRROLOPYRIDAZINE COMPOUNDS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-12-12 | — | — | WO | disclosed |
| US-5068346-A | Anticholesterol agents | BRISTOL-MYERS COMPANY (US) | 1991-11-26 | — | — | US | disclosed |
| CN-1012643-B | Preparation method of epoxypropane ketone compound | HOFFMANN LA ROCHE (CH) | 1991-05-22 | — | — | CN | disclosed |
| US-4983746-A | Oxetanones and process for their production | HOFFMANN-LA ROCHE INC. (US) | 1991-01-08 | — | — | US | disclosed |
| US-4931463-A | PANCREAS LIPASE INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 1990-06-05 | — | — | US | disclosed |
| US-4897490-A | DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE | BRISTOL-MEYERS COMPANY (US) | 1990-01-30 | — | — | US | disclosed |
| WO-1988006584-A1 | ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS | BRISTOL-MYERS COMPANY (US) | 1988-09-07 | — | — | WO | disclosed |
| CN-85108888-A | The preparation method of propylene oxide ketone compounds | — | 1986-07-09 | — | — | CN | disclosed |