Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.77 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | TYMS | P04818 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RGS12 | O14924 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL57038 | 0.88 | PARP1 (1.00) | PARP1NPSR1TYMSALDH1A1MCL1 | |
| SCHEMBL2487811 | 0.88 | PARP1 (1.00) | PARP1NPSR1TYMSALDH1A1MCL1 | |
| Cyanide SCHEMBL29183775 | 0.86 | PARP1 (0.87) | PARP1NPSR1TYMSALDH1A1MCL1 | |
| SCHEMBL29157626 | 0.86 | PARP1 (0.95) | PARP1NPSR1TYMSALDH1A1MCL1 | |
| SCHEMBL9681519 | 0.86 | PARP1 (0.95) | PARP1NPSR1TYMSALDH1A1MCL1 | |
| SCHEMBL9413391 | 0.86 | PARP1 (0.95) | PARP1NPSR1TYMSALDH1A1MCL1 | |
| SCHEMBL29038783 | 0.86 | PARP1 (0.95) | PARP1NPSR1TYMSALDH1A1MCL1 | |
| SCHEMBL28640108 | 0.86 | PARP1 (0.95) | PARP1NPSR1TYMSALDH1A1MCL1 | |
| SCHEMBL29038784 | 0.86 | PARP1 (0.95) | PARP1NPSR1TYMSALDH1A1MCL1 | |
| SCHEMBL29255681 | 0.86 | PARP1 (0.95) | PARP1NPSR1TYMSALDH1A1MCL1 |
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-115197114-B | Aromatic selenocyanum compound and green synthesis method and application thereof | 南宁师范大学 | 2023-09-05 | — | — | CN | disclosed |