Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | HCK | P08631 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18639994 | 0.90 | HRH3 (0.40) | ESR1MEN1KMT2AL3MBTL1PIK3CD | |
| SCHEMBL18664454 | 0.90 | ACACB (0.33) | ESR1ACACBHRH3CYP4F2CYP4A11 | |
| SCHEMBL18639855 | 0.81 | MEN1 (0.42) | ESR1MEN1KMT2AL3MBTL1GRIN2B | |
| SCHEMBL18640072 | 0.80 | HRH3 (0.41) | MEN1KMT2AL3MBTL1HRH3CYP4F2 | |
| SCHEMBL18639996 | 0.80 | MEN1 (0.44) | ESR1MEN1KMT2AL3MBTL1GRIN2B | |
| SCHEMBL18639851 | 0.80 | PARP14 (0.33) | ACACBHRH3P2RY1LRRK2CHEK1 | |
| SCHEMBL18640010 | 0.79 | SLC6A2 (0.43) | SLC6A4 | |
| SCHEMBL18639984 | 0.76 | TLR9 (0.39) | MEN1KMT2AL3MBTL1HRH3LRRK2 | |
| SCHEMBL18640285 | 0.74 | F10 (0.47) | MEN1KMT2AL3MBTL1 | |
| SCHEMBL18639865 | 0.74 | TLR9 (0.40) | MEN1KMT2AL3MBTL1HRH3 |
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-2017045751-A1 | COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |