Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 8/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7933356 | 0.96 | KCNJ1 (0.45) | KCNJ1SIGMAR1KCNH2S1PR1MC4R | |
| SCHEMBL13062235 | 0.96 | KCNJ1 (0.45) | KCNJ1SIGMAR1KCNH2S1PR1MC4R | |
| SCHEMBL13014057 | 0.95 | MC4R (0.46) | KCNJ1SIGMAR1KCNH2S1PR1MC4R | |
| SCHEMBL13014027 | 0.92 | MC4R (0.50) | KCNJ1SIGMAR1KCNH2MC4RHRH3 | |
| SCHEMBL13014006 | 0.92 | MC4R (0.50) | KCNJ1SIGMAR1KCNH2MC4RHRH3 | |
| SCHEMBL13014410 | 0.86 | KCNJ1 (0.45) | KCNJ1SIGMAR1KCNH2MC4RCCR2 | |
| SCHEMBL18022813 | 0.81 | ALB (0.49) | KCNJ1SIGMAR1KCNH2S1PR1HRH3 | |
| SCHEMBL17986201 | 0.80 | KCNJ1 (0.45) | KCNJ1SIGMAR1KCNH2S1PR1HRH3 | |
| SCHEMBL13062234 | 0.78 | KCNJ1 (0.45) | KCNJ1SIGMAR1KCNH2S1PR1HRH3 | |
| SCHEMBL17985899 | 0.77 | KCNJ1 (0.50) | KCNJ1SIGMAR1KCNH2S1PR1HRH3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170008863-A1 | SYNTHESIS OF THERAPEUTIC AND DIAGNOSTIC DRUGS CENTERED ON REGIOSELECTIVE AND STEREOSELECTIVE RING OPENING OF AZIRIDINIUM IONS | CHONG, HYUN-SOON, PHD | 2017-01-12 | — | — | US | disclosed |
| 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 |
| WO-2010011367-A2 | BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING | ILLINOIS INSTITUTE OF TECHNOLOGY (US) | 2010-01-28 | — | — | WO | 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 (2 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-20170008863-A1 | SYNTHESIS OF THERAPEUTIC AND DIAGNOSTIC DRUGS CENTERED ON REGIOSELECTIVE AND STEREOSELECTIVE RING OPENING OF AZIRIDINIUM IONS | AZI2, ABL1, DHPS | KCNJ1 296/4885SIGMAR1 3169/4885KCNH2 710/4885 |
| US-20100322855-A1 | Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using | UACA, CLTC, PKD1 | KCNJ1 4684/4885SIGMAR1 870/4885KCNH2 3525/4885 |
“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.