Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 14/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 13/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6061090 | 0.82 | HSD17B1 (0.52) | HSD17B1HSD17B2CYP3A4CYP2C9ESR1 | |
| SCHEMBL183516 | 0.80 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL26567 | 0.79 | MAOA (0.41) | ESR1ALDH1A1 | |
| SCHEMBL589437 | 0.79 | MAOA (0.41) | ESR1ALDH1A1 | |
| SCHEMBL1411316 | 0.77 | MMP3 (0.48) | HSD17B1HSD17B2CYP3A4ESR1ESR2 | |
| SCHEMBL2115058 | 0.76 | ACHE (0.42) | CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL3298109 | 0.76 | MAOA (0.54) | CYP3A4CA12ALDH1A1CA2LMNA | |
| SCHEMBL2115007 | 0.76 | NPC1 (0.42) | ESR2 | |
| SCHEMBL27825751 | 0.76 | MAOB (0.43) | CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL2112958 | 0.76 | TAAR1 (0.42) | HSD17B1HSD17B2ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | claimed |
| EP-3068758-A1 | EBNA1 INHIBITORS AND THEIR METHOD OF USE | The Wistar Institute Of Anatomy And Biology (US) | 2016-09-21 | — | — | EP | disclosed |
| WO-2015073864-A1 | EBNA1 INHIBITORS AND THEIR METHOD OF USE | THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) | 2015-05-21 | — | — | WO | disclosed |
| EP-0976748-B1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| EP-1064262-A1 | SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS | Aventis Pharma Deutschland GmbH (DE) | 2001-01-03 | — | — | EP | disclosed |
| US-6147100-A | ANTIINFLAMMATORY AGENTS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| EP-0976748-A1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2000-02-02 | — | — | EP | disclosed |
| WO-1999042444-A1 | SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 1999-08-26 | — | — | WO | disclosed |