Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | F11 | P03951 | 13/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.36 |
| ▸ | PLD2 | O14939 | 1/20 | 0.34 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7748895 | 0.94 | CCR2 (0.44) | CCR2TDP1ADRA1DADRA1AADRA1B | |
| SCHEMBL7749103 | 0.90 | ADRA1D (0.43) | CCR2TDP1ADRA1DADRA1AADRA1B | |
| SCHEMBL7743434 | 0.69 | CCR2 (0.39) | CCR2TDP1F11ADRA1DADRA1A | |
| SCHEMBL7743435 | 0.69 | CCR2 (0.39) | CCR2TDP1F11ADRA1DADRA1A | |
| SCHEMBL7743413 | 0.67 | ADRA1D (0.42) | ADRA1DADRA1AADRA1B | |
| SCHEMBL7747425 | 0.66 | ADRA1A (0.49) | ADRA1DADRA1AADRA1B | |
| SCHEMBL7743428 | 0.66 | ADRA1A (0.39) | ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL7748897 | 0.66 | ADRA1A (0.51) | ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL7748890 | 0.66 | ADRA1A (0.51) | ADRA1DADRA1AADRA1B | |
| SCHEMBL10952538 | 0.64 | AVPR1A (0.47) | CCR2TDP1F11 |
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 | claimed |