Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.50 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.50 |
| ▸ | CHRNG | P07510 | 2/20 | 0.50 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.50 |
| ▸ | CHRND | Q07001 | 2/20 | 0.50 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5370186 | 0.84 | GSK3B (0.50) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL19926137 | 0.79 | KMT2A (0.50) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL8867285 | 0.77 | PARP1 (0.59) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL6831516 | 0.77 | CA1 (0.50) | ALDH1A1ERCC5FEN1GSK3BKDM4E | |
| SCHEMBL5744280 | 0.77 | SLC6A2 (0.49) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL408412 | 0.77 | TDP1 (0.50) | PARP1CYP2C19HRH1KCNH2ALDH1A1 | |
| SCHEMBL9954465 | 0.76 | SLC6A2 (0.51) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL8159886 | 0.76 | SLC6A2 (0.63) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL5347363 | 0.76 | PARP1 (0.57) | PARP1CYP2C19ALDH1A1SMN1; SMN2ERCC5 | |
| SCHEMBL16313505 | 0.76 | PARP1 (0.57) | PARP1SLC6A2SLC6A3CHRNA1CHRNG |
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 |
|---|---|---|---|---|---|---|---|
| CN-110526850-B | Process for preparing 2, 5-diaryl-3-cyanopyrrole compounds | 浙江大学 | 2021-02-09 | — | — | CN | disclosed |