Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 7/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10613988 | 0.78 | TP53 (0.49) | TP53KMT2AALDH1A1MEN1NR1I2 | |
| SCHEMBL28002534 | 0.76 | KMT2A (0.66) | KMT2AALDH1A1L3MBTL1MEN1MAPT | |
| SCHEMBL7437271 | 0.75 | TP53 (0.46) | TP53KMT2AALDH1A1L3MBTL1MEN1 | |
| Hydrochloric Acid SCHEMBL30004917 | 0.74 | KMT2A (0.64) | KMT2AALDH1A1L3MBTL1MEN1MAPT | |
| Hydrochloric Acid SCHEMBL30006002 | 0.74 | KMT2A (0.64) | KMT2AALDH1A1L3MBTL1MEN1MAPT | |
| SCHEMBL1290816 | 0.74 | ESR1 (0.62) | ESR1KMT2AALDH1A1MEN1CYP3A4 | |
| SCHEMBL11830362 | 0.74 | KMT2A (0.46) | TP53ESR1KMT2AALDH1A1 | |
| SCHEMBL7554537 | 0.73 | KMT2A (0.54) | ESR1KMT2AALDH1A1L3MBTL1LMNA | |
| SCHEMBL6417177 | 0.73 | KMT2A (0.43) | TP53KMT2AALDH1A1L3MBTL1MEN1 | |
| SCHEMBL10639178 | 0.72 | KMT2A (0.54) | TP53ESR1KMT2AALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1689713-B1 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE | MERCK SHARP & DOHME (US) | 2011-07-27 | — | — | EP | disclosed |