Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | C1S | P09871 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547505 | 1.00 | PARP1 (0.57) | PARP1ALDH1A1TP53HPGDC1S | |
| SCHEMBL31599171 | 0.85 | L3MBTL1 (0.46) | PARP1ALDH1A1HPGDL3MBTL1TSHR | |
| SCHEMBL22187763 | 0.80 | PARP1 (0.57) | PARP1ALDH1A1TP53HPGDC1S | |
| SCHEMBL28863134 | 0.77 | PARP1 (0.53) | PARP1ALDH1A1TP53HPGDC1S | |
| SCHEMBL30153175 | 0.76 | PARP1 (0.68) | PARP1ALDH1A1TP53HPGDC1S | |
| SCHEMBL241785 | 0.76 | PARP1 (0.68) | PARP1ALDH1A1TP53HPGDC1S | |
| SCHEMBL6670439 | 0.76 | PARP1 (0.68) | PARP1ALDH1A1TP53HPGDC1S | |
| SCHEMBL3156993 | 0.76 | PARP1 (0.57) | PARP1TP53HPGDSMN1; SMN2NPC1 | |
| SCHEMBL13784854 | 0.76 | CES2 (0.61) | PARP1HPGDL3MBTL1SMN1; SMN2NPC1 | |
| SCHEMBL17244256 | 0.76 | PARP1 (0.57) | PARP1ALDH1A1HPGDL3MBTL1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117263933-A | Alpha-carboline derivative and synthesis method thereof | 湘潭大学 | 2023-12-22 | — | — | CN | claimed |
| CN-117263933-A | Alpha-carboline derivative and synthesis method thereof | 湘潭大学 | 2023-12-22 | — | — | CN | disclosed |