Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | LGMN | Q99538 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3940708 | 0.71 | HPGD (0.64) | SMN1; SMN2PKMRAB9ALGMNADORA3 | |
| SCHEMBL6681995 | 0.68 | SMN1; SMN2 (0.48) | SMN1; SMN2PKMRAB9ALGMNADORA3 | |
| SCHEMBL23974602 | 0.67 | LGMN (0.58) | SMN1; SMN2PKMRAB9ALGMNADORA3 | |
| SCHEMBL19555085 | 0.67 | MAPK8 (0.66) | ADORA3ADORA2BMAPTTP53 | |
| SCHEMBL10875952 | 0.66 | HPGD (0.50) | SMN1; SMN2PKMRAB9ALGMNADORA3 | |
| SCHEMBL8985073 | 0.65 | GSK3B (0.67) | SMN1; SMN2PKMHPGDCYP3A4ALDH1A1 | |
| SCHEMBL38658744 | 0.64 | KMT2A (0.56) | SMN1; SMN2PKMRAB9ALGMNADORA3 | |
| SCHEMBL7426213 | 0.64 | ALDH1A1 (0.64) | SMN1; SMN2PKMRAB9AADORA3ADORA2B | |
| SCHEMBL23974605 | 0.64 | HPGD (0.57) | SMN1; SMN2LGMNADORA2BHPGDCYP3A4 | |
| SCHEMBL11014928 | 0.64 | POLB (0.83) | SMN1; SMN2PKMADORA3ADORA2BALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111704634-B | Metal complex containing tridentate ligand and xanthine derivative ligand as well as preparation method and medical application of metal complex | 中国药科大学 | 2021-08-20 | — | — | CN | disclosed |
| CN-111704634-A | Metal complex containing tridentate ligand and xanthine derivative ligand as well as preparation method and medical application of metal complex | 中国药科大学 | 2020-09-25 | — | — | CN | disclosed |