Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 7/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1150117 | 1.00 | NR1D1 (0.44) | NR1D1ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL18118461 | 0.94 | NR1D1 (0.43) | NR1D1ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL3782596 | 0.91 | NR1D1 (0.35) | NR1D1OPRK1NPC1RAB9ANR1H3 | |
| SCHEMBL3773796 | 0.89 | NR1D1 (0.42) | NR1D1ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL1150059 | 0.86 | OPRK1 (0.34) | LMNAOPRK1NPC1RAB9APPARG | |
| SCHEMBL3773804 | 0.86 | NR1D1 (0.40) | NR1D1ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL13014059 | 0.85 | NR1D1 (0.39) | NR1D1ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL17986224 | 0.83 | NR1D1 (0.41) | NR1D1KCNJ1KCNH2NPC1RAB9A | |
| SCHEMBL17986064 | 0.83 | NR1D1 (0.41) | NR1D1KCNJ1KCNH2NPC1RAB9A | |
| SCHEMBL16731705 | 0.83 | HRH2 (0.41) | ALDH1A1LMNAMAPTKCNJ1KCNH2 |
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-9115094-B2 | Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using | THE UNITED STATES OF AMERICA, NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS) (US) | 2015-08-25 | — | — | US | disclosed |
| US-20100322855-A1 | Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using | ILLINOIS INSTITUTE OF TECHNOLOGY (US) | 2010-12-23 | — | — | 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-20100322855-A1 | Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using | UACA, CLTC, PKD1 | NR1D1 1424/4885ALDH1A1 3456/4885LMNA 559/4885 |
“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.