Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18079519 | 0.95 | S1PR1 (0.42) | S1PR1SIGMAR1OPRK1ALBCHRM2 | |
| SCHEMBL3779770 | 0.95 | S1PR1 (0.42) | S1PR1SIGMAR1OPRK1ALBCHRM2 | |
| SCHEMBL18022816 | 0.91 | S1PR1 (0.46) | S1PR1SIGMAR1OPRK1ALB | |
| SCHEMBL27404859 | 0.89 | SIGMAR1 (0.39) | S1PR1SIGMAR1OPRK1CHRM2CHRM4 | |
| SCHEMBL13014130 | 0.86 | KCNJ1 (0.45) | SIGMAR1OPRK1KMT2A | |
| SCHEMBL13014054 | 0.86 | KCNJ1 (0.45) | SIGMAR1OPRK1KMT2A | |
| SCHEMBL24618857 | 0.86 | SIGMAR1 (0.50) | SIGMAR1MC4RKMT2APOLBGAA | |
| SCHEMBL24240930 | 0.85 | S1PR1 (0.42) | S1PR1LMNASIGMAR1KMT2APOLB | |
| SCHEMBL26241146 | 0.85 | OPRD1 (0.41) | S1PR1SIGMAR1KMT2A | |
| SCHEMBL22821437 | 0.83 | S1PR1 (0.42) | S1PR1KMT2APOLBGAAALB |
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 | S1PR1 2492/4885LMNA 559/4885SIGMAR1 870/4885 |
“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.