Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2432356 | 0.81 | PARP1 (0.66) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL28375622 | 0.80 | PARP1 (0.63) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL3650973 | 0.77 | CES2 (0.76) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL284142 | 0.77 | PARP1 (1.00) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL18867942 | 0.77 | PARP1 (1.00) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL28353839 | 0.77 | TSHR (0.52) | PARP1CES2CES1PKMALDH1A1 | |
| SCHEMBL12444117 | 0.77 | CES2 (0.68) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL69483 | 0.77 | CES2 (0.68) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL30151881 | 0.77 | PARP1 (1.00) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL25501698 | 0.77 | CES2 (0.61) | PARP1CES2CES1HDAC1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4093400-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | The Trustees of Princeton University (US) | 2022-11-30 | — | — | EP | disclosed |