Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.49 |
| ▸ | F2 | P00734 | 3/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.46 |
| ▸ | S100A4 | P26447 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2485012 | 1.00 | TSHR (0.64) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL2873685 | 0.83 | VCAM1 (0.56) | TSHRMAPK1TDP1S100A4TRPV1 | |
| SCHEMBL30955236 | 0.83 | VCAM1 (0.56) | TSHRMAPK1TDP1S100A4TRPV1 | |
| SCHEMBL4609255 | 0.81 | PDE7A (0.72) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL4608336 | 0.81 | MMP1 (0.56) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL1561802 | 0.80 | TSHR (0.56) | TSHRMAPK1TDP1S100A4TRPV1 | |
| SCHEMBL31281371 | 0.79 | TSHR (0.67) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL359179 | 0.79 | TSHR (0.67) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL29398960 | 0.78 | TSHR (1.00) | TSHRMAPK1CA1CA2MMP1 | |
| SCHEMBL165733 | 0.78 | CYP19A1 (0.49) | TSHRMAPK1TDP1PDE7AS100A4 |
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-119241507-A | Phenyl pyridine quaternary ammonium salt derivative and preparation method and application thereof | 山东大学 | 2025-01-03 | — | — | CN | disclosed |