Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3132273 | 0.93 | NR1D1 (0.48) | NR1D1TSHRNR1H3PPARGPPARA | |
| SCHEMBL7941737 | 0.91 | NR1D1 (0.46) | NR1D1TSHRNR1H3PPARGPPARA | |
| SCHEMBL15388528 | 0.80 | NR1D1 (0.48) | NR1D1TSHRNR1H3PPARGPPARA | |
| SCHEMBL13014404 | 0.79 | NR1D1 (0.53) | NR1D1TSHRNR1H3PPARGPPARA | |
| SCHEMBL17986044 | 0.79 | NR1D1 (0.42) | NR1D1MMP1MMP2MMP9MMP8 | |
| SCHEMBL3773796 | 0.77 | NR1D1 (0.42) | NR1D1KCNH2ALDH1A1MAPTLMNA | |
| SCHEMBL15388283 | 0.77 | NR1D1 (0.52) | NR1D1NR1H3PPARGPPARAMMP1 | |
| SCHEMBL30796999 | 0.76 | TSHR (0.51) | NR1D1TSHRPPARGPPARAKCNH2 | |
| SCHEMBL7804379 | 0.75 | NR1D1 (0.50) | NR1D1NR1H3PPARGPPARAMMP1 | |
| SCHEMBL13014102 | 0.75 | NR1D1 (0.52) | NR1D1TSHRNR1H3PPARGPPARA |
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 1424/4885TSHR 544/4885NR1H3 2774/4885 |
“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.