Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.46 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | GSR | P00390 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31261480 | 1.00 | TSHR (0.52) | TSHRTRPA1ESR1ESR2ALDH1A1 | |
| SCHEMBL1094363 | 1.00 | TSHR (0.52) | TSHRTRPA1ESR1ESR2ALDH1A1 | |
| SCHEMBL11044364 | 0.87 | TSHR (0.41) | TSHRTRPA1ALDH1A1MEN1CYP2C19 | |
| SCHEMBL988253 | 0.83 | TSHR (0.48) | TSHRTRPA1ESR1ESR2ALDH1A1 | |
| SCHEMBL28981581 | 0.82 | TSHR (0.44) | TSHRTRPA1ESR1ESR2ALDH1A1 | |
| SCHEMBL1344877 | 0.81 | TSHR (0.50) | TSHRTRPA1ESR1ESR2ALDH1A1 | |
| SCHEMBL28981588 | 0.81 | TRPA1 (0.59) | TSHRTRPA1ESR1ESR2ALDH1A1 | |
| SCHEMBL28981578 | 0.79 | TSHR (0.45) | TSHRTRPA1ESR1ESR2ALDH1A1 | |
| SCHEMBL1096675 | 0.79 | PTGS1 (0.49) | TSHRALDH1A1MEN1KMT2ACCR1 | |
| SCHEMBL1095302 | 0.78 | ESR2 (0.44) | ESR1ESR2ALDH1A1MEN1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3801896-A1 | RAPIDLY RELEASED BIOORTHOGONAL CAGING GROUPS | University of Utah Research Foundation (US) | 2021-04-14 | — | — | EP | disclosed |