Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 9/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 9/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 9/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19005804 | 0.75 | CHRNB2 (0.31) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19005688 | 0.75 | CHRNB2 (0.31) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19005659 | 0.75 | CHRNB2 (0.31) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19005657 | 0.72 | CHRNB2 (0.34) | CHRNB2CHRNB4CHRNA3CHRNA4HTR2A | |
| SCHEMBL19005651 | 0.71 | SIGMAR1 (0.36) | ADRA1A | |
| SCHEMBL19005658 | 0.71 | ADRA1A (0.33) | ADRA1A | |
| SCHEMBL19005642 | 0.70 | SLC18A3 (0.35) | CHRNB2CHRNB4CHRNA3CHRNA4HTR2A | |
| SCHEMBL19005648 | 0.69 | CYP19A1 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19005645 | 0.66 | MEN1 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL13755325 | 0.65 | — | — |
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-2017101796-A1 | PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |