Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28598156 | 1.00 | TSHR (0.37) | TSHRSLC5A2CYP3A4CYP2C19MMP1 | |
| SCHEMBL28607901 | 0.85 | CYP3A4 (0.31) | TSHRCYP3A4CYP2C19 | |
| SCHEMBL13839654 | 0.79 | — | — | |
| SCHEMBL2436838 | 0.79 | — | — | |
| SCHEMBL17551917 | 0.78 | TSHR (0.37) | TSHR | |
| SCHEMBL22367008 | 0.77 | — | — | |
| SCHEMBL22367004 | 0.71 | TSHR (0.33) | TSHR | |
| SCHEMBL180719 | 0.71 | — | — | |
| SCHEMBL5907179 | 0.70 | TSHR (0.42) | TSHRSLC5A2 | |
| SCHEMBL15625121 | 0.69 | CYP3A4 (0.36) | TSHRCYP3A4CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106674330-B | Preparation method of 34-Dimethyl apratoxin A/E | 复旦大学 | 2021-07-02 | — | — | CN | claimed |
| CN-106674330-B | Preparation method of 34-Dimethyl apratoxin A/E | 复旦大学 | 2021-07-02 | — | — | CN | disclosed |
| WO-2019157293-A1 | APRATOXIN ANALOGS | OHIO STATE INNOVATION FOUNDATION (US) | 2019-08-15 | — | — | WO | disclosed |