Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 3/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.38 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.38 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 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 | |
|---|---|---|---|---|
| SCHEMBL3691250 | 0.85 | SLC9A1 (0.45) | PARP1CES2CES1ERN1LCK | |
| SCHEMBL18451256 | 0.83 | PARP1 (0.43) | PARP1CES2CES1ERN1LCK | |
| SCHEMBL18451253 | 0.83 | PARP1 (0.43) | PARP1CES2CES1ERN1LCK | |
| SCHEMBL30147535 | 0.82 | LMNA (0.47) | CES2CES1ERN1TSHRKMT2A | |
| SCHEMBL26263149 | 0.82 | LMNA (0.47) | CES2CES1ERN1TSHRKMT2A | |
| SCHEMBL31085117 | 0.80 | CES2 (0.42) | CES2CES1ALDH1A1 | |
| SCHEMBL289633 | 0.79 | CES2 (0.67) | PARP1CES2CES1ERN1LCK | |
| SCHEMBL29781365 | 0.79 | CES2 (0.67) | PARP1CES2CES1ERN1LCK | |
| SCHEMBL27326910 | 0.78 | MAPK1 (0.41) | PARP1ERN1ARPARP10ALDH1A1 | |
| SCHEMBL31188464 | 0.77 | CES2 (0.64) | PARP1CES2CES1ERN1LCK |
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-1954668-B9 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1954668-B1 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-28 | — | — | EP | disclosed |