Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.56 |
| ▸ | ERN1 | O75460 | 2/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | ATIC | P31939 | 1/20 | 0.43 |
| ▸ | P4HB | P07237 | 1/20 | 0.41 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.39 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL17672485 | 0.80 | AR (0.45) | AKR1C3AKR1C2ERN1MRGPRX4PDK2 | |
| SCHEMBL2832477 | 0.79 | SCN9A (0.58) | AKR1C3AKR1C2ERN1PDK2SCN9A | |
| SCHEMBL17672493 | 0.79 | ATIC (0.46) | ERN1ATICPTGDR2BAZ2BBAZ2A | |
| Hydrochloric Acid SCHEMBL29833674 | 0.78 | SCN9A (0.57) | AKR1C3AKR1C2ERN1PDK2SCN9A | |
| SCHEMBL1786253 | 0.78 | ERN1 (0.57) | AKR1C3AKR1C2ERN1PDK2SCN9A | |
| SCHEMBL2371259 | 0.77 | AR (0.47) | PDK2TRPV4PTGDR2 | |
| SCHEMBL3721296 | 0.76 | KAT6A (0.56) | ERN1ATICDHODH | |
| SCHEMBL403135 | 0.75 | AKR1C3 (0.55) | AKR1C3AKR1C2ERN1PDK2SCN9A | |
| SCHEMBL7566278 | 0.75 | P4HB (0.46) | MRGPRX4ATICP4HBTRPV4CYP2C9 | |
| SCHEMBL28668535 | 0.74 | KIF11 (0.57) | PDK2P4HBTRPV4PTGDR2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140323487-A1 | Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors | GLAXOSMITHKLINE LLC | 2014-10-30 | — | — | US | disclosed |
| US-8822518-B2 | Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction | GLAXOSMITHKLINE LLC (US) | 2014-09-02 | — | — | US | disclosed |
| US-20140100255-A1 | Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors | GLAXOSMITHKLINE LLC (US) | 2014-04-10 | — | — | US | disclosed |
| US-8633175-B2 | Compounds as antagonists or inverse agonists at opioid receptors | GLAXOSMITHKLINE LLC (US) | 2014-01-21 | — | — | US | disclosed |
| US-20110124559-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2011-05-26 | — | — | US | disclosed |
| US-20100113512-A1 | METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | IGNAR DIANE MICHELE | 2010-05-06 | — | — | US | disclosed |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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-20110124559-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | OPRL1, OPRM1, OPRK1 | AKR1C3 2428/4885AKR1C2 2353/4885ERN1 2227/4885 |
| US-20100113512-A1 | METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | OPRL1, OPRD1, OPRK1 | AKR1C3 2572/4885AKR1C2 1973/4885ERN1 3244/4885 |
| US-20140323487-A1 | Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors | OPRL1, OPRM1, OPRK1 | AKR1C3 2428/4885AKR1C2 2353/4885ERN1 2227/4885 |
| US-20140100255-A1 | Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors | OPRL1, OPRM1, OPRK1 | AKR1C3 2428/4885AKR1C2 2353/4885ERN1 2227/4885 |
“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.