Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9243121 | 0.81 | PARP1 (0.43) | PARP1CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL20560139 | 0.71 | CES2 (0.56) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL28572956 | 0.69 | CES2 (0.54) | CES2CES1PARP1CHRNB2SLC6A2 | |
| SCHEMBL9688068 | 0.68 | CES2 (0.47) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL103051 | 0.67 | CES2 (0.68) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL29604318 | 0.67 | CES2 (0.68) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL27864984 | 0.67 | CES2 (0.56) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL8015553 | 0.67 | CES2 (0.61) | CES2CES1PARP1CHRNB2SLC6A2 | |
| SCHEMBL20148791 | 0.67 | CES2 (0.50) | CES2CES1PARP1CHRNB2SLC6A2 | |
| SCHEMBL8761571 | 0.66 | CES2 (0.60) | CES2CES1PARP1HDAC1HDAC6 |
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 |