Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6263196 | 1.00 | TSHR (0.33) | TSHRTHRBBLMPMP22NPSR1 | |
| SCHEMBL6263199 | 1.00 | TSHR (0.33) | TSHRTHRBBLMPMP22NPSR1 | |
| SCHEMBL1424739 | 0.86 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL1783555 | 0.86 | ALDH1A1 (0.37) | TSHRTHRBBLMPMP22NPSR1 | |
| SCHEMBL7942903 | 0.86 | ALDH1A1 (0.37) | TSHRTHRBBLMPMP22NPSR1 | |
| SCHEMBL10582699 | 0.85 | THRB (0.42) | TSHRTHRBBLMPMP22NPSR1 | |
| SCHEMBL10582693 | 0.85 | THRB (0.48) | TSHRTHRBBLMPMP22NPSR1 | |
| SCHEMBL6263167 | 0.85 | THRB (0.48) | TSHRTHRBBLMPMP22NPSR1 | |
| SCHEMBL14781080 | 0.83 | — | — | |
| SCHEMBL17279084 | 0.82 | ALDH1A1 (0.40) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6441236-B1 | HYDROLYSIS, AMINATION | BASF AKTIENGESELLSCHAFT (DE) | 2002-08-27 | — | — | US | claimed |