Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 5/20 | 0.66 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 3/20 | 0.45 |
| ▸ | MMP2 | P08253 | 3/20 | 0.45 |
| ▸ | MMP9 | P14780 | 3/20 | 0.45 |
| ▸ | MMP8 | P22894 | 3/20 | 0.45 |
| ▸ | MMP13 | P45452 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13014193 | 0.90 | NR1D1 (0.66) | NR1D1NR1H3ALDH1A1LMNAMMP1 | |
| SCHEMBL17029221 | 0.84 | NR1D1 (0.65) | NR1D1NR1H3ALDH1A1LMNAMMP1 | |
| SCHEMBL3844227 | 0.82 | MEN1 (0.52) | NR1D1NR1H3ALDH1A1LMNATSHR | |
| SCHEMBL13014191 | 0.82 | NR1D1 (0.56) | NR1D1NR1H3ALDH1A1LMNAMMP1 | |
| SCHEMBL17029337 | 0.80 | ALDH1A1 (0.57) | NR1D1ALDH1A1LMNAMMP1MMP2 | |
| SCHEMBL3129212 | 0.80 | NR1D1 (0.48) | NR1D1ALDH1A1LMNAMMP1MMP2 | |
| SCHEMBL18633621 | 0.80 | NR1D1 (0.62) | NR1D1NR1H3ALDH1A1MMP1MMP2 | |
| SCHEMBL4935242 | 0.80 | ALDH1A1 (0.61) | ALDH1A1LMNASMN1; SMN2TSHRGAA | |
| SCHEMBL25391995 | 0.79 | NR1D1 (0.43) | NR1D1NR1H3ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL17714014 | 0.78 | ITGA4 (0.56) | NR1D1NR1H3ALDH1A1LMNA |
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 1424/4885NR1H3 2774/4885ALDH1A1 3456/4885 |
“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.