Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1078971 | 0.92 | CHRNA7 (0.45) | CHRNA7HTR3APARP1 | |
| SCHEMBL1078969 | 0.92 | CHRNA7 (0.45) | CHRNA7HTR3APARP1 | |
| SCHEMBL4432019 | 0.89 | CHRNA7 (0.43) | CHRNA7HTR3A | |
| SCHEMBL9234393 | 0.87 | CHRNA7 (0.47) | CHRNA7HTR3APARP1 | |
| SCHEMBL9234400 | 0.87 | CHRNA7 (0.47) | CHRNA7HTR3APARP1 | |
| SCHEMBL4432640 | 0.85 | CHRNA7 (0.43) | CHRNA7HTR3A | |
| Lithium Ion SCHEMBL1081156 | 0.85 | CHRNA7 (0.45) | CHRNA7HTR3APARP1 | |
| SCHEMBL703665 | 0.82 | CHRNA7 (0.46) | CHRNA7HTR3APARP1 | |
| SCHEMBL703666 | 0.82 | CHRNA7 (0.46) | CHRNA7HTR3APARP1 | |
| SCHEMBL1079421 | 0.80 | SIGMAR1 (0.38) | CHRNA7HTR3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2310019-A2 | 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF | Albany Molecular Research, Inc. (US) | 2011-04-20 | — | — | EP | disclosed |
| WO-2009155054-A2 | 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2009-12-23 | — | — | WO | disclosed |