Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 6/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19561410 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL15614997 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL20772273 | 0.80 | CYP17A1 (0.40) | CHRNB2CHRNA4CYP17A1MEN1KMT2A | |
| SCHEMBL15776554 | 0.78 | CHRNB2 (0.41) | CHRNB2CHRNA4CYP17A1MEN1KMT2A | |
| SCHEMBL20733724 | 0.77 | CHRNA7 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL23918196 | 0.75 | CHRNB2 (0.37) | CHRNB2CHRNA4CYP17A1 | |
| SCHEMBL30945455 | 0.75 | CYP17A1 (0.36) | CHRNB2CHRNA4CHRNA3CHRNA7CYP17A1 | |
| SCHEMBL31026164 | 0.75 | CYP17A1 (0.36) | CHRNB2CHRNA4CHRNA3CHRNA7CYP17A1 | |
| SCHEMBL26621158 | 0.75 | SCN9A (0.37) | CHRNB2CHRNA4CHRNB4CHRNA3CYP17A1 | |
| SCHEMBL24759486 | 0.75 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNA3CHRNA7CYP17A1 |
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-3094638-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2017-11-08 | — | — | EP | disclosed |
| WO-2015104045-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2015-07-16 | — | — | WO | disclosed |