Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5848037 | 0.73 | — | — | |
| SCHEMBL2466575 | 0.73 | AURKA (0.32) | AURKAKDRKDM4CHDAC1HDAC6 | |
| Hydrochloric Acid SCHEMBL27448124 | 0.70 | AURKA (0.33) | AURKAKDRKDM4CHDAC1HDAC6 | |
| SCHEMBL668518 | 0.69 | BACE1 (0.39) | — | |
| SCHEMBL17772362 | 0.69 | KDM4C (0.40) | AURKAKDRMCL1KDM4CDAO | |
| SCHEMBL30021759 | 0.68 | BACE1 (0.38) | — | |
| SCHEMBL11864981 | 0.67 | CCND3 (0.36) | — | |
| SCHEMBL6272816 | 0.67 | HSD17B3 (0.40) | — | |
| SCHEMBL8517242 | 0.67 | — | — | |
| SCHEMBL13386056 | 0.67 | NISCH (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0654023-B1 | 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-09-16 | — | — | EP | disclosed |
| US-5523299-A | ADMINISTERING IN TREATMENT OF PSYCHOTIC DISORDERS | SMITHKLINE BEECHAM PLC (GB) | 1996-06-04 | — | — | US | disclosed |
| EP-0654023-A1 | 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003426-A1 | 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-02-17 | — | — | WO | disclosed |
| WO-1994003426-A1 | 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-02-17 | — | — | WO | disclosed |