Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 10/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL757580 | 0.90 | MAPT (0.36) | ADORA3ADORA2AADORA1OPRM1OPRL1 | |
| SCHEMBL757090 | 0.90 | MAPT (0.36) | ADORA3ADORA2AADORA1OPRM1OPRL1 | |
| SCHEMBL754823 | 0.90 | ADORA3 (0.38) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL758021 | 0.90 | BACE1 (0.34) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL755943 | 0.90 | BACE1 (0.34) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL754725 | 0.90 | BACE1 (0.34) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| Hydrochloric Acid SCHEMBL754170 | 0.89 | ADORA3 (0.38) | ADORA3ADORA2AADORA1BACE1BACE2 | |
| SCHEMBL755089 | 0.89 | KMT2A (0.35) | ADORA3ADORA1OPRM1OPRL1OPRK1 | |
| Hydrochloric Acid SCHEMBL755877 | 0.89 | MAPT (0.35) | ADORA3ADORA2AADORA1OPRM1OPRL1 | |
| SCHEMBL4740733 | 0.89 | KMT2A (0.35) | ADORA3ADORA1OPRM1OPRL1OPRK1 |
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-1910364-B1 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-03-21 | — | — | EP | disclosed |