Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL28999157 | 1.00 | TSHR (0.43) | TSHRALDH1A1TDP1TRPV1TRPA1 | |
| SCHEMBL7862792 | 1.00 | TSHR (0.43) | TSHRALDH1A1TDP1TRPV1TRPA1 | |
| SCHEMBL10482157 | 1.00 | — | — | |
| SCHEMBL3797790 | 1.00 | TSHR (0.43) | TSHRALDH1A1TDP1TRPV1TRPA1 | |
| SCHEMBL6596844 | 0.97 | — | — | |
| SCHEMBL28996073 | 0.90 | TSHR (0.62) | TSHRALDH1A1TDP1 | |
| SCHEMBL28996019 | 0.90 | TSHR (0.62) | TSHRALDH1A1TDP1 | |
| SCHEMBL558496 | 0.88 | — | — | |
| SCHEMBL19001362 | 0.88 | — | — | |
| SCHEMBL541455 | 0.87 | TRPV1 (0.36) | TSHRALDH1A1TRPV1TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011023722-A1 | NOVEL QUINOXALINONE HEPCIDIN ANTAGONISTS | VIFOR (INTERNATIONAL) AG (CH) | 2011-03-03 | — | — | WO | disclosed |