Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.45 |
| ▸ | CHRNG | P07510 | 2/20 | 0.45 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.45 |
| ▸ | CHRND | Q07001 | 2/20 | 0.45 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9249689 | 0.81 | PARP1 (0.46) | SLC6A2SLC6A3PARP1HPGDCHRNA1 | |
| SCHEMBL9687337 | 0.81 | CA12 (0.44) | PARP1ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL8159886 | 0.74 | SLC6A2 (0.63) | SLC6A2SLC6A3PARP1HPGDCHRNA1 | |
| SCHEMBL2012003 | 0.74 | HTT (0.47) | SLC6A2SLC6A3PARP1HPGDCHRNA1 | |
| SCHEMBL14511436 | 0.72 | PARP1 (0.53) | SLC6A2SLC6A3PARP1HPGDCHRNA1 | |
| SCHEMBL3096979 | 0.70 | PARP1 (0.56) | SLC6A2SLC6A3PARP1HPGDCHRNA1 | |
| SCHEMBL4375606 | 0.70 | PARP1 (0.56) | SLC6A2SLC6A3PARP1HPGDCHRNA1 | |
| SCHEMBL8568759 | 0.69 | PARP1 (0.50) | SLC6A2SLC6A3PARP1HPGDCHRNA1 | |
| SCHEMBL8568764 | 0.69 | PARP1 (0.50) | SLC6A2SLC6A3PARP1HPGDCHRNA1 | |
| SCHEMBL4088684 | 0.69 | PARP1 (0.60) | PARP1HPGDALDH1A1SMN1; SMN2HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5136114-A | PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-04 | — | — | US | disclosed |