Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL11068798 | 0.73 | POLB (0.50) | ALDH1A1KMT2AMEN1POLBGAA | |
| SCHEMBL10959786 | 0.72 | POLB (0.46) | LMNAALDH1A1KMT2AMEN1POLB | |
| SCHEMBL10959791 | 0.72 | POLB (0.46) | LMNAALDH1A1KMT2AMEN1POLB | |
| SCHEMBL22307309 | 0.72 | KMT2A (0.38) | LMNAALDH1A1KMT2AMEN1POLB | |
| SCHEMBL10144182 | 0.72 | HPGD (0.45) | LMNAALDH1A1KMT2AMEN1POLB | |
| SCHEMBL3937741 | 0.72 | ADH1B (0.48) | LMNAALDH1A1KMT2AMEN1GAA | |
| SCHEMBL1303144 | 0.71 | — | — | |
| SCHEMBL4506589 | 0.71 | — | — | |
| SCHEMBL12614746 | 0.71 | — | — | |
| SCHEMBL22306359 | 0.70 | POLB (0.44) | LMNAALDH1A1KMT2AMEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020156298-A1 | APPLICATION OF MALONONITRILE COMPOUND AS BACTERICIDE | 沈阳化工大学 | 2020-08-06 | — | — | WO | disclosed |