Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 2/20 | 0.37 |
| ▸ | LDHB | P07195 | 2/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL12608213 | 0.92 | KDM4E (0.47) | KDM4EALDH1A1HSD17B10HRH1USP2 | |
| SCHEMBL1787861 | 0.81 | HSD17B10 (0.41) | KDM4EALDH1A1HSD17B10HRH1USP2 | |
| Trifluoroacetic Acid SCHEMBL3342164 | 0.79 | RORC (0.47) | SMN1; SMN2NPC1RAB9ANQO2HDAC1 | |
| Trifluoroacetic Acid SCHEMBL3345415 | 0.78 | HDAC1 (0.40) | SMN1; SMN2NPC1RAB9AHDAC1OPRM1 | |
| SCHEMBL1785547 | 0.77 | MAPT (0.62) | KDM4EALDH1A1HSD17B10USP2HTT | |
| Trifluoroacetic Acid SCHEMBL3345691 | 0.77 | HDAC1 (0.52) | SMN1; SMN2NPC1RAB9AHDAC1OPRM1 | |
| Trifluoroacetic Acid SCHEMBL1785288 | 0.75 | RORC (0.44) | SMN1; SMN2NPC1RAB9AHDAC1OPRM1 | |
| Trifluoroacetic Acid SCHEMBL1787276 | 0.74 | HDAC1 (0.37) | ALDH1A1HAO1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4963401 | 0.73 | OPRM1 (0.43) | ALDH1A1HTTSMN1; SMN2OPRM1OPRD1 | |
| Trifluoroacetic Acid SCHEMBL3342436 | 0.72 | HDAC1 (0.54) | SMN1; SMN2NPC1RAB9AHDAC1OPRM1 |
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 3 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-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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 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 | KDM4E 3829/4885ALDH1A1 3500/4885HSD17B10 3892/4885 |
| US-20140323487-A1 | Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors | OPRL1, OPRM1, OPRK1 | KDM4E 3829/4885ALDH1A1 3500/4885HSD17B10 3892/4885 |
“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.