Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | C1S | P09871 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28396264 | 0.87 | L3MBTL1 (0.41) | PARP1GAAL3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL28924563 | 0.80 | PBRM1 (0.52) | ALDH1A1SMN1; SMN2GAANPC1RAB9A | |
| SCHEMBL28151007 | 0.79 | PARP1 (0.52) | PARP1ALDH1A1HPGDSMN1; SMN2GAA | |
| SCHEMBL29200432 | 0.79 | CES2 (0.55) | PARP1ALDH1A1HPGDSMN1; SMN2L3MBTL1 | |
| SCHEMBL19398201 | 0.79 | PARP1 (0.52) | PARP1TP53HPGDSMN1; SMN2NPC1 | |
| SCHEMBL30151360 | 0.77 | KMO (0.55) | GAAMAPT | |
| SCHEMBL13909938 | 0.77 | IDO1 (0.33) | ALDH1A1SMN1; SMN2GAAL3MBTL1NPC1 | |
| SCHEMBL17454634 | 0.77 | KMO (0.55) | GAAMAPT | |
| SCHEMBL12438666 | 0.77 | PARP1 (0.59) | PARP1ALDH1A1TP53HPGDSMN1; SMN2 | |
| SCHEMBL28459756 | 0.77 | CES2 (0.48) | HPGDCYP1A2RAB9AMAPTNPSR1 |
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 |