Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 9/20 | 0.47 |
| ▸ | CNR1 | P21554 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MLNR | O43193 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4910525 | 0.99 | CNR2 (0.47) | CNR2CNR1MAPTMCOLN3POLB | |
| SCHEMBL1719121 | 0.81 | DRD3 (0.45) | CNR2CNR1POLBMLNRTSHR | |
| Hydrochloric Acid SCHEMBL4924167 | 0.80 | DRD3 (0.44) | CNR2CNR1POLBMLNRTSHR | |
| SCHEMBL2466084 | 0.78 | FFAR1 (0.51) | MAPTPOLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL4914708 | 0.77 | FFAR1 (0.50) | MAPTPOLBALDH1A1 | |
| SCHEMBL2470132 | 0.76 | ALDH1A1 (0.44) | CNR2CNR1MAPTMCOLN3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4922303 | 0.75 | ALDH1A1 (0.43) | CNR2CNR1MAPTMCOLN3ALDH1A1 | |
| SCHEMBL14132730 | 0.73 | CNR2 (0.46) | CNR2CNR1MAPTPOLBNPSR1 | |
| SCHEMBL5018945 | 0.72 | CA9 (0.58) | CNR2CNR1ALDH1A1 | |
| SCHEMBL2468725 | 0.71 | ALDH1A1 (0.40) | CNR2CNR1MAPTMCOLN3F10 |
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-2371814-A1 | Aminoethylaromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor | Abbott GmbH & Co. KG (DE) | 2011-10-05 | — | — | EP | disclosed |