Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.46 |
| ▸ | HTR1A | P08908 | 4/20 | 0.43 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | DRD3 | P35462 | 4/20 | 0.43 |
| ▸ | F2 | P00734 | 2/20 | 0.40 |
| ▸ | MASP2 | O00187 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | PYGL | P06737 | 1/20 | 0.37 |
| ▸ | PYGM | P11217 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6206546 | 0.98 | SMYD3 (0.56) | SMYD3MAPTGAAMTNR1AHTR1A | |
| SCHEMBL4019694 | 0.84 | SMYD3 (0.58) | SMYD3MAPTGAAMTNR1AHTR1A | |
| SCHEMBL29831598 | 0.83 | GAA (0.69) | SMYD3MAPTGAAMTNR1AHTR1A | |
| SCHEMBL1150614 | 0.83 | GAA (0.69) | SMYD3MAPTGAAMTNR1AHTR1A | |
| SCHEMBL1531662 | 0.83 | GAA (0.69) | SMYD3MAPTGAAMTNR1AHTR1A | |
| SCHEMBL444953 | 0.83 | GAA (0.69) | SMYD3MAPTGAAMTNR1AHTR1A | |
| SCHEMBL8823899 | 0.82 | SMYD3 (0.46) | SMYD3MAPTGAAMTNR1AHTR1A | |
| Hydrochloric Acid SCHEMBL11050093 | 0.81 | GAA (0.67) | SMYD3MAPTGAAMTNR1AHTR1A | |
| Hydrochloric Acid SCHEMBL11047643 | 0.81 | GAA (0.67) | SMYD3MAPTGAAMTNR1AHTR1A | |
| Hydrochloric Acid SCHEMBL3157936 | 0.81 | GAA (0.67) | SMYD3MAPTGAAMTNR1AHTR1A |
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-115385965-A | Asymmetric six-membered ring pyridine imine complex containing large steric hindrance substituent and preparation method and application thereof | 中国科学院化学研究所 | 2022-11-25 | — | — | CN | disclosed |