Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 3/20 | 1.00 |
| ▸ | MEN1 | O00255 | 3/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.73 |
| ▸ | TP53 | P04637 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | HPGD | P15428 | 1/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | APEX1 | P27695 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL1639422 | 0.90 | NTRK1 (0.81) | NTRK1MEN1KMT2AMAPK1KDM4E | |
| SCHEMBL1639424 | 0.90 | NTRK1 (0.81) | NTRK1MEN1KMT2AMAPK1KDM4E | |
| SCHEMBL10049700 | 0.90 | NTRK1 (0.81) | NTRK1MEN1KMT2AMAPK1KDM4E | |
| SCHEMBL29695425 | 0.90 | NTRK1 (0.81) | NTRK1MEN1KMT2AMAPK1KDM4E | |
| SCHEMBL6568984 | 0.87 | NTRK1 (0.78) | NTRK1MEN1KMT2AMAPK1KDM4E | |
| SCHEMBL4347834 | 0.85 | NTRK1 (0.73) | NTRK1MEN1KMT2AMAPK1KDM4E | |
| SCHEMBL1639305 | 0.85 | NTRK1 (0.73) | NTRK1MEN1KMT2AMAPK1KDM4E | |
| SCHEMBL1639307 | 0.85 | NTRK1 (0.73) | NTRK1MEN1KMT2AMAPK1KDM4E | |
| SCHEMBL1173698 | 0.84 | MEN1 (1.00) | NTRK1MEN1KMT2AMAPK1KDM4E | |
| SCHEMBL414436 | 0.84 | MEN1 (1.00) | NTRK1MEN1KMT2AMAPK1KDM4E |
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-111410618-A | Compound with hexokinase 2 inhibitory activity and application | 武汉华杰世纪生物医药有限公司 | 2020-07-14 | — | — | CN | disclosed |