Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | C1S | P09871 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3395919 | 0.86 | L3MBTL1 (0.43) | PARP1HPGDL3MBTL1CYP1A2TSHR | |
| SCHEMBL5824834 | 0.84 | PARP1 (0.52) | PARP1ALDH1A1TP53HPGDC1S | |
| SCHEMBL5555845 | 0.82 | TDP1 (0.40) | ALDH1A1SMN1; SMN2GAAL3MBTL1RAB9A | |
| SCHEMBL3889487 | 0.81 | PARP1 (0.49) | PARP1ALDH1A1TP53HPGDC1S | |
| Butanedione SCHEMBL28856348 | 0.79 | FURIN (0.38) | PARP1ALDH1A1HPGDSMN1; SMN2GAA | |
| SCHEMBL12438666 | 0.79 | PARP1 (0.59) | PARP1ALDH1A1TP53HPGDC1S | |
| SCHEMBL9117144 | 0.78 | CES2 (0.57) | PARP1ALDH1A1HPGDSMN1; SMN2L3MBTL1 | |
| SCHEMBL4092403 | 0.78 | PARP1 (0.53) | PARP1TP53HPGDSMN1; SMN2NPC1 | |
| SCHEMBL10792089 | 0.78 | PARP1 (0.53) | PARP1ALDH1A1HPGDSMN1; SMN2GAA | |
| SCHEMBL16590388 | 0.77 | BCL2 (0.44) | TP53SMN1; SMN2NFKB1NFKB2RELA |
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-115197113-B | Combretastatin A-4 derivative containing thiourea structure, preparation method and application thereof | 南通大学 | 2023-08-18 | — | — | CN | disclosed |
| CN-115197113-A | Combretastatin A-4 derivative containing thiourea structure, preparation method and application thereof | 南通大学 | 2022-10-18 | — | — | CN | disclosed |