Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.33 |
| ▸ | HPGDS | O60760 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4666345 | 1.00 | PARP1 (0.39) | PARP1KDM4EALDH1A1STSCTSB | |
| SCHEMBL4666343 | 1.00 | PARP1 (0.39) | PARP1KDM4EALDH1A1STSCTSB | |
| SCHEMBL5648984 | 0.88 | TAS1R3 (0.44) | PARP1ALDH1A1CA1CA2GAA | |
| SCHEMBL5648980 | 0.88 | TAS1R3 (0.44) | PARP1ALDH1A1CA1CA2GAA | |
| SCHEMBL4664988 | 0.87 | KAT6A (0.37) | CTSBBACE1CA2 | |
| SCHEMBL4664991 | 0.87 | KAT6A (0.37) | CTSBBACE1CA2 | |
| SCHEMBL5649888 | 0.87 | PARP1 (0.40) | PARP1ALDH1A1ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL4666750 | 0.87 | TAS1R3 (0.43) | PARP1ALDH1A1CA1CA2GAA | |
| Hydrochloric Acid SCHEMBL4666747 | 0.87 | TAS1R3 (0.43) | PARP1ALDH1A1CA1CA2GAA | |
| Hydrochloric Acid SCHEMBL4667970 | 0.86 | PARP1 (0.40) | PARP1ALDH1A1ADRB2ADRB1ADRB3 |
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-1395551-B1 | HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES | ELAN PHARM INC (US) | 2008-05-21 | — | — | EP | disclosed |