Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | GAA | P10253 | 6/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2450078 | 0.84 | KDM4E (0.71) | KDM4EALDH1A1GAAHSD17B10MAPT | |
| SCHEMBL27947283 | 0.77 | KDM4E (0.62) | KDM4EALDH1A1GAAHSD17B10MAPT | |
| SCHEMBL27628922 | 0.77 | KDM4E (0.62) | KDM4EALDH1A1GAAHSD17B10MAPT | |
| SCHEMBL94134 | 0.77 | GAA (0.69) | KDM4EALDH1A1GAAHSD17B10MAPT | |
| SCHEMBL29695571 | 0.77 | KDM4E (1.00) | KDM4EALDH1A1MAPTCYP3A4SMN1; SMN2 | |
| SCHEMBL5459905 | 0.77 | KDM4E (1.00) | KDM4EALDH1A1MAPTCYP3A4SMN1; SMN2 | |
| Isopropyl Alcohol SCHEMBL11096119 | 0.76 | KDM4E (0.66) | KDM4EGAAHSD17B10CASP7CA12 | |
| Acetic Acid SCHEMBL15653002 | 0.76 | KDM4E (0.66) | KDM4EALDH1A1HSD17B10MAPTCYP3A4 | |
| SCHEMBL1660190 | 0.76 | GAA (0.70) | KDM4EALDH1A1GAAHSD17B10MAPT | |
| SCHEMBL19484976 | 0.74 | CYP1B1 (0.60) | KDM4EALDH1A1GAAHSD17B10MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2337784-A1 | MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-06-29 | — | — | EP | disclosed |
| WO-2010036871-A1 | MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-01 | — | — | WO | disclosed |
| WO-2006023209-A2 | USES OF NOTCH RECEPTORS, NOTCH LIGANDS, AND NOTCH MODULATORS IN METHODS RELATED TO METABOLIC DISEASES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) | 2006-03-02 | — | — | WO | disclosed |