Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 2/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.44 |
| ▸ | C1S | P09871 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.42 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.42 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29604318 | 0.89 | CES2 (0.68) | CES2CES1HDAC1HDAC6PARP1 | |
| SCHEMBL103051 | 0.89 | CES2 (0.68) | CES2CES1HDAC1HDAC6PARP1 | |
| SCHEMBL29760319 | 0.89 | PARP1 (0.63) | PARP1RELAALDH1A1TP53MEN1 | |
| SCHEMBL168961 | 0.89 | PARP1 (0.63) | PARP1RELAALDH1A1TP53MEN1 | |
| SCHEMBL9353591 | 0.85 | CES2 (0.59) | CES2CES1HDAC1HDAC6PARP1 | |
| Methylene Chloride SCHEMBL28080178 | 0.83 | PARP1 (0.57) | PARP1ALDH1A1TP53MEN1KMT2A | |
| SCHEMBL21815759 | 0.81 | PARP1 (0.55) | CES2CES1PARP1ALDH1A1TP53 | |
| SCHEMBL15366815 | 0.76 | CES2 (0.57) | CES2CES1HDAC1HDAC6PARP1 | |
| SCHEMBL2013121 | 0.76 | PARP1 (0.53) | CES2CES1HDAC1HDAC6PARP1 | |
| Acetone SCHEMBL27429251 | 0.75 | CES2 (0.48) | CES2CES1HDAC1HDAC6PARP1 |
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-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |