Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MOGAT2 | Q3SYC2 | 11/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3050388 | 0.85 | HRH4 (0.37) | BCHEHRH4 | |
| SCHEMBL3948226 | 0.84 | HTR1A (0.35) | HTR1AHTR1DHTR1BHPGDBCHE | |
| Hydrochloric Acid SCHEMBL3046823 | 0.84 | HRH4 (0.36) | BCHEHRH4 | |
| Hydrochloric Acid SCHEMBL3046520 | 0.74 | SIGMAR1 (0.43) | — | |
| SCHEMBL3050665 | 0.73 | HRH4 (0.35) | BCHEHRH4 | |
| Hydrochloric Acid SCHEMBL3047062 | 0.73 | DPP4 (0.37) | BCHEHRH4 | |
| Hydrochloric Acid SCHEMBL3043894 | 0.73 | HRH4 (0.35) | BCHEHRH4 | |
| SCHEMBL3044509 | 0.72 | KCNH2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL3047318 | 0.71 | BCHE (0.34) | BCHEHRH4 | |
| Hydrochloric Acid SCHEMBL3048929 | 0.71 | BTK (0.35) | BCHEHRH4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049481-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008021851-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |