Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29211176 | 0.72 | ATM (0.38) | ADRB2ADRB1ADRB3CA1CA2 | |
| SCHEMBL6511720 | 0.70 | ATM (0.37) | ADRB2ADRB1ADRB3CA1CA2 | |
| SCHEMBL12449737 | 0.69 | ADRB2 (0.36) | ADRB2ADRB1ADRB3CA1CA2 | |
| SCHEMBL4921403 | 0.69 | ADRB2 (0.39) | ADRB2ADRB1ADRB3CA1CA2 | |
| SCHEMBL10869033 | 0.66 | ATM (0.37) | ADRB2ADRB1ADRB3CA1CA2 | |
| SCHEMBL6822786 | 0.66 | ATM (0.37) | ADRB2ADRB1ADRB3CA1CA2 | |
| SCHEMBL11381438 | 0.65 | ATM (0.35) | ADRB2ADRB1ADRB3CA1CA2 | |
| SCHEMBL27581223 | 0.64 | ADH1B (0.32) | ADRB2ADRB1ADRB3CA1CA2 | |
| SCHEMBL18771123 | 0.63 | DNM1 (0.43) | ADRB2ADRB1ADRB3CA1CA2 | |
| SCHEMBL24115957 | 0.63 | DNM1 (0.39) | CA1CA2 |
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-2001022919-A2 | SPIRO[BICYCLIC -AZACYCLOALKYL AND -CYCLOALKYL] DERIVATIVES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-04-05 | — | — | WO | disclosed |