Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.59 |
| ▸ | NEK6 | Q9HC98 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.51 |
| ▸ | BRAF | P15056 | 3/20 | 0.50 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.49 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.48 |
| ▸ | CTSB | P07858 | 2/20 | 0.48 |
| ▸ | ELANE | P08246 | 1/20 | 0.48 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12436077 | 0.89 | MEN1 (0.51) | ESR2POLBL3MBTL1MEN1KMT2A | |
| SCHEMBL14680238 | 0.89 | ESR2 (0.61) | ESR2NEK6POLBL3MBTL1MEN1 | |
| SCHEMBL18598255 | 0.86 | ESR2 (0.58) | ESR2NEK6POLBL3MBTL1MEN1 | |
| SCHEMBL6392502 | 0.78 | BRAF (0.64) | POLBL3MBTL1MEN1KMT2ADNMT1 | |
| SCHEMBL14584255 | 0.77 | SIRT2 (0.52) | ESR2NEK6POLBL3MBTL1MEN1 | |
| SCHEMBL8290667 | 0.77 | ESR2 (0.55) | ESR2NEK6POLBL3MBTL1MEN1 | |
| SCHEMBL8290540 | 0.76 | SIRT2 (0.51) | ESR2NEK6POLBL3MBTL1MEN1 | |
| SCHEMBL14680186 | 0.76 | ESR2 (0.54) | ESR2NEK6POLBL3MBTL1MEN1 | |
| SCHEMBL12435517 | 0.75 | ESR2 (0.55) | ESR2NEK6POLBL3MBTL1MEN1 | |
| SCHEMBL8291187 | 0.75 | ESR2 (0.49) | ESR2NEK6POLBL3MBTL1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011094708-A2 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATIING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | DANA-FARBER CANCER INSTITUTE, INC (US) | 2011-08-04 | — | — | WO | disclosed |