Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GPR6 | P46095 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29200437 | 0.88 | HDAC1 (0.50) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL28396264 | 0.87 | L3MBTL1 (0.41) | CES2CES1PARP1HDAC6PKM | |
| SCHEMBL28413031 | 0.82 | CES2 (0.46) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL28924563 | 0.80 | PBRM1 (0.52) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL19398201 | 0.79 | PARP1 (0.52) | PARP1HDAC6MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28151007 | 0.79 | PARP1 (0.52) | PARP1PKMMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29200417 | 0.79 | PARP1 (0.52) | PARP1MEN1KMT2ASMN1; SMN2L3MBTL1 | |
| SCHEMBL17664303 | 0.78 | CES2 (0.59) | CES2MEN1KMT2AKCNK3HPGD | |
| SCHEMBL17454634 | 0.77 | KMO (0.55) | HDAC1LMNAMAPT | |
| SCHEMBL13909938 | 0.77 | IDO1 (0.33) | HDAC1HDAC6PKMMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-117658868-A | Benzamide derivative and preparation method and application thereof | 中山大学 | 2024-03-08 | — | — | CN | disclosed |