Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.67 |
| ▸ | CES1 | P23141 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | JAK1 | P23458 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14394377 | 0.82 | CES2 (0.63) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL17573111 | 0.81 | CES2 (0.43) | CES2CES1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL7220072 | 0.81 | CES2 (1.00) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL31032483 | 0.81 | CES2 (1.00) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL8009171 | 0.78 | CES2 (0.59) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL14504180 | 0.77 | SLC9A1 (0.62) | CES2CES1KDM4EF2PLG | |
| SCHEMBL8009663 | 0.77 | CES2 (0.57) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL9160200 | 0.77 | CES2 (0.57) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL8344284 | 0.77 | CES2 (0.68) | CES2CES1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL64121 | 0.77 | CES2 (0.68) | CES2CES1SMN1; SMN2KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-8980908-B2 | Non-peptidyl, potent, and selective mu opioid receptor antagonists and their use in treating opioid addiction and opioid induced constipation | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2015-03-17 | — | — | US | disclosed |
| US-20140371255-A1 | NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS AND THEIR USE IN TREATING OPIOID ADDICTION AND OPIOID INDUCED CONSTIPATION | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2014-12-18 | — | — | 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 (1 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-20140371255-A1 | NON-PEPTIDYL, POTENT, AND SELECTIVE MU OPIOID RECEPTOR ANTAGONISTS AND THEIR USE IN TREATING OPIOID ADDICTION AND OPIOID INDUCED CONSTIPATION | OPRM1, OPRK1, OPRL1 | CES2 878/4885CES1 1840/4885SMN1; SMN2 848/4885 |
“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.