Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.47 |
| ▸ | CHRNG | P07510 | 2/20 | 0.47 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.47 |
| ▸ | CHRND | Q07001 | 2/20 | 0.47 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4701217 | 0.75 | SLC6A2 (0.56) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL4701219 | 0.73 | PARP1 (0.55) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL5925977 | 0.72 | PARP1 (0.57) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL1228260 | 0.72 | CYP2B6 (0.50) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL7637167 | 0.71 | PARP1 (0.55) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL4741237 | 0.71 | PARP1 (0.55) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL24599745 | 0.71 | CYP2B6 (0.49) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL20809637 | 0.70 | SLC6A2 (0.56) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL1093383 | 0.70 | SLC6A2 (0.56) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| Tert-Butylamine SCHEMBL3326036 | 0.70 | PARP1 (0.50) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1968603-A2 | THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS | Algebra Inc. (US) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007079470-A2 | THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS | ALGEBRA, INC. (US) | 2007-07-12 | — | — | WO | disclosed |