Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 8/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3769255 | 0.90 | KCNJ1 (0.46) | KCNJ1SIGMAR1KCNH2POLBOPRK1 | |
| SCHEMBL3249763 | 0.90 | KCNJ1 (0.46) | KCNJ1SIGMAR1KCNH2POLBOPRK1 | |
| SCHEMBL17986201 | 0.86 | KCNJ1 (0.45) | KCNJ1SIGMAR1KCNH2POLBOPRK1 | |
| SCHEMBL13014130 | 0.85 | KCNJ1 (0.45) | KCNJ1SIGMAR1KCNH2OPRK1HRH3 | |
| SCHEMBL13014054 | 0.85 | KCNJ1 (0.45) | KCNJ1SIGMAR1KCNH2OPRK1HRH3 | |
| SCHEMBL25936773 | 0.85 | KCNJ1 (0.39) | KCNJ1SIGMAR1KCNH2POLBOPRK1 | |
| SCHEMBL16631744 | 0.83 | KCNJ1 (0.45) | KCNJ1SIGMAR1KCNH2HRH3CCR2 | |
| SCHEMBL17986129 | 0.83 | KCNJ1 (0.45) | KCNJ1SIGMAR1KCNH2HRH3CCR2 | |
| SCHEMBL18021193 | 0.82 | SIGMAR1 (0.45) | KCNJ1SIGMAR1KCNH2OPRK1HRH3 | |
| SCHEMBL25936768 | 0.82 | KCNJ1 (0.38) | KCNJ1SIGMAR1KCNH2OPRK1HRH3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |