Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 1.00 |
| ▸ | TYMS | P04818 | 9/20 | 0.70 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.61 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.54 |
| ▸ | TNKS | O95271 | 1/20 | 0.53 |
| ▸ | CDK4 | P11802 | 1/20 | 0.49 |
| ▸ | CCND1 | P24385 | 1/20 | 0.49 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.47 |
| ▸ | RAF1 | P04049 | 1/20 | 0.47 |
| ▸ | BRAF | P15056 | 1/20 | 0.47 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.47 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.47 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.47 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12169915 | 1.00 | PARP1 (1.00) | PARP1TYMSPBRM1TNKS2TNKS | |
| SCHEMBL6686465 | 0.83 | TYMS (1.00) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL30838794 | 0.82 | PARP1 (1.00) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL9259148 | 0.82 | PARP1 (1.00) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL20422056 | 0.82 | PARP1 (0.70) | PARP1TYMSPBRM1TNKS2TNKS | |
| SCHEMBL2659299 | 0.79 | PARP1 (1.00) | PARP1TYMSTNKS2TNKSBMPR1B | |
| SCHEMBL19992072 | 0.79 | PARP1 (0.66) | PARP1TYMSTNKS2CDK4CCND1 | |
| SCHEMBL19992076 | 0.79 | PARP1 (0.66) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL328456 | 0.79 | PARP1 (0.70) | PARP1TYMSTNKS2BMPR1BRAF1 | |
| SCHEMBL19992101 | 0.79 | PARP1 (0.66) | PARP1TYMSTNKS2BMPR1BRAF1 |
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-117088853-A | Schizocommunications derivative, preparation method thereof and application thereof in inhibiting plant pathogenic bacteria | 江苏大学 | 2023-11-21 | — | — | CN | disclosed |