Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.49 |
| ▸ | TNF | P01375 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28307943 | 1.00 | PKM (0.57) | PKMIRAK4TNFSMN1; SMN2RAB9A | |
| SCHEMBL28306970 | 0.91 | IRAK4 (0.49) | PKMIRAK4TNFSMN1; SMN2RAB9A | |
| SCHEMBL28306951 | 0.88 | PKM (0.59) | PKMSMN1; SMN2MAPTKMT2AMEN1 | |
| SCHEMBL30458035 | 0.88 | PKM (0.59) | PKMSMN1; SMN2MAPTKMT2AMEN1 | |
| SCHEMBL15323299 | 0.84 | TNF (0.53) | TNFMAPTKMT2AMEN1ALDH1A1 | |
| SCHEMBL19911366 | 0.81 | PKM (0.68) | PKMSMN1; SMN2RAB9AMAPTKMT2A | |
| SCHEMBL15206424 | 0.81 | TNF (0.52) | TNFRAB9AMAPTKMT2AMEN1 | |
| SCHEMBL11559748 | 0.79 | PKM (0.65) | PKMSMN1; SMN2MAPTKMT2ABRD4 | |
| SCHEMBL7417377 | 0.79 | MAPT (0.49) | IRAK4TNFMAPTKMT2AMEN1 | |
| SCHEMBL28307007 | 0.79 | MTNR1A (0.49) | PKMSMN1; SMN2RAB9AMAPTKMT2A |
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-109988794-B | Method for synthesizing nitrobenzimidazole derivatives through enzyme catalysis in continuous flow reactor | 浙江农林大学 | 2023-06-13 | — | — | CN | disclosed |