Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.43 |
| ▸ | DRD3 | P35462 | 6/20 | 0.43 |
| ▸ | DRD4 | P21917 | 4/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | MRGPRX2 | Q96LB1 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4014450 | 0.78 | PNMT (0.54) | DRD2DRD3DRD4OPRM1OPRK1 | |
| SCHEMBL30211155 | 0.78 | PNMT (0.54) | DRD2DRD3DRD4OPRM1OPRK1 | |
| SCHEMBL19453935 | 0.78 | PNMT (0.54) | DRD2DRD3DRD4OPRM1OPRK1 | |
| SCHEMBL4014529 | 0.74 | PRCP (0.53) | — | |
| SCHEMBL15330413 | 0.74 | DRD3 (0.40) | DRD2DRD3DRD4OPRM1OPRL1 | |
| SCHEMBL546303 | 0.74 | EGLN1 (0.46) | DRD2DRD3OPRM1KCNH2OPRK1 | |
| SCHEMBL7943555 | 0.74 | EGLN1 (0.46) | DRD2DRD3OPRM1KCNH2OPRK1 | |
| Hydrochloric Acid SCHEMBL3998414 | 0.73 | EGLN1 (0.44) | DRD2DRD3OPRM1KCNH2OPRK1 | |
| SCHEMBL18435402 | 0.73 | SCN3A (0.54) | DRD2DRD3DRD4OPRM1OPRL1 | |
| SCHEMBL12168266 | 0.70 | PNMT (0.64) | OPRM1OPRK1MRGPRX2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8895560-B2 | Opioid antagonists | ADOLOR CORPORATION (US) | 2014-11-25 | — | — | US | disclosed |
| US-20140186951-A1 | NOVEL OPIOID ANTAGONISTS | ADOLOR CORPORATION (US) | 2014-07-03 | — | — | US | disclosed |
| US-20130317035-A1 | NOVEL OPIOID ANTAGONISTS | ADOLOR CORPORATION (US) | 2013-11-28 | — | — | US | disclosed |
| US-8580788-B2 | Opioid antagonists | ADOLOR CORPORATION (US) | 2013-11-12 | — | — | US | disclosed |
| EP-1940412-B1 | NOVEL OPIOID ANTAGONISTS | ADOLOR CORP (US) | 2013-01-23 | — | — | EP | disclosed |
| US-8278323-B2 | Opioid antagonists | ADOLOR CORPORATION (US) | 2012-10-02 | — | — | US | disclosed |
| US-20120231543-A1 | NOVEL OPIOID ANTAGONISTS | ADOLOR CORPORATION (US) | 2012-09-13 | — | — | US | disclosed |
| US-20090221562-A1 | NOVEL OPIOID ANTAGONISTS | ADOLOR CORPORATION (US) | 2009-09-03 | — | — | US | disclosed |
| US-7538110-B2 | e.g. 1-(8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2- alpha ]pyrazin-2(6H)-yl)-2-phenylethanone; analgesics; gastrointestinal dysfunction, post-surgical recovery; side effect reduction | ADOLOR CORPORATION (US) | 2009-05-26 | — | — | US | disclosed |
| EP-1940412-A2 | NOVEL OPIOID ANTAGONISTS | Adolor Corporation (US) | 2008-07-09 | — | — | EP | disclosed |
| US-20070105863-A1 | e.g. 1-(8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2- alpha ]pyrazin-2(6H)-yl)-2-phenylethanone; analgesics; gastrointestinal dysfunction, post-surgical recovery; side effect reduction | MERCK SHARP & DOHME LLC | 2007-05-10 | — | — | US | disclosed |
| WO-2007050802-A2 | NOVEL OPIOID ANTAGONISTS | ADOLOR CORPORATION (US) | 2007-05-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120231543-A1 | NOVEL OPIOID ANTAGONISTS | OPRK1, OPRM1, OPRL1 | DRD2 24/4885DRD3 113/4885DRD4 100/4885 |
| US-20130317035-A1 | NOVEL OPIOID ANTAGONISTS | OPRK1, OPRM1, OPRL1 | DRD2 24/4885DRD3 113/4885DRD4 100/4885 |
| US-20090221562-A1 | NOVEL OPIOID ANTAGONISTS | OPRK1, OPRM1, OPRL1 | DRD2 24/4885DRD3 113/4885DRD4 100/4885 |
| US-20070105863-A1 | e.g. 1-(8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2- alpha ]pyrazin-2(6H)-yl)-2-phenylethanone; analgesics; gastrointestinal dysfunction, post-surgical recovery; side effect reduction | OPRK1, OPRD1, OPRM1 | DRD2 104/4885DRD3 194/4885DRD4 260/4885 |
| US-20140186951-A1 | NOVEL OPIOID ANTAGONISTS | OPRK1, OPRM1, OPRL1 | DRD2 24/4885DRD3 113/4885DRD4 100/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.