Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28833746 | 0.79 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10783189 | 0.79 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL64694 | 0.79 | L3MBTL1 (0.68) | ALDH1A1L3MBTL1HCAR2POLBMAPT | |
| SCHEMBL1641559 | 0.79 | L3MBTL1 (0.68) | ALDH1A1L3MBTL1HCAR2POLBMAPT | |
| SCHEMBL11054639 | 0.77 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4859056 | 0.77 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4859053 | 0.77 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6832587 | 0.77 | HCAR2 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6832586 | 0.77 | HCAR2 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28981305 | 0.77 | MAPT (0.52) | ALDH1A1L3MBTL1HCAR2POLBRAB9A |
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-2004031137-A1 | CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2004-04-15 | — | — | WO | disclosed |