Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | CPT2 | P23786 | 3/20 | 0.32 |
| ▸ | CPT1A | P50416 | 3/20 | 0.32 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL1787990 | 0.77 | HDAC1 (0.47) | CPT2CPT1ACPT1BPTPN1ROCK2 | |
| Hydrochloric Acid SCHEMBL3339995 | 0.76 | HDAC1 (0.46) | CPT2CPT1ACPT1BPTPN1ROCK2 | |
| SCHEMBL6566183 | 0.69 | DDB1 (0.42) | DDB1CRBNCPT2CPT1ACPT1B | |
| SCHEMBL12651042 | 0.65 | DDB1 (0.40) | DDB1CRBNCPT2CPT1ACPT1B | |
| SCHEMBL10338954 | 0.64 | ALOX5 (0.52) | DDB1CRBN | |
| SCHEMBL12651519 | 0.61 | OPRM1 (0.42) | ROCK2 | |
| SCHEMBL12651394 | 0.61 | HDAC1 (0.47) | PTPN1 | |
| Hydrochloric Acid SCHEMBL3339472 | 0.60 | RAB9A (0.43) | ROCK2 | |
| Hydrochloric Acid SCHEMBL3341549 | 0.60 | HDAC1 (0.46) | PTPN1 | |
| SCHEMBL7257909 | 0.59 | DDB1 (0.71) | DDB1CRBN |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054383-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-05-06 | — | — | EP | claimed |
| WO-2008021849-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | claimed |
| EP-2054383-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008021849-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |