Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL25453778 | 0.86 | ALDH1A1 (0.48) | TSHRALDH1A1MAPK1USP2CYP1A2 | |
| SCHEMBL25453772 | 0.85 | TRPV4 (0.48) | TSHRALDH1A1MAPK1USP2CYP1A2 | |
| SCHEMBL13164567 | 0.80 | RECQL (0.67) | RECQLTSHRHSD17B10EGFRPIK3CA | |
| SCHEMBL10192170 | 0.76 | HTT (0.49) | ALDH1A1MAPK1HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL25453425 | 0.75 | DRD3 (0.40) | TSHRALDH1A1MAPK1USP2CYP1A2 | |
| SCHEMBL13841457 | 0.72 | TSHR (1.00) | RECQLTSHRALDH1A1USP2POLB | |
| SCHEMBL10192106 | 0.72 | HPGD (0.49) | ALDH1A1MAPK1HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL31356929 | 0.71 | ALDH1A1 (0.74) | TSHRALDH1A1MAPK1HSD17B10POLB | |
| SCHEMBL12302133 | 0.71 | ALDH1A1 (0.74) | TSHRALDH1A1MAPK1HSD17B10POLB | |
| SCHEMBL10282266 | 0.71 | TSHR (0.86) | RECQLTSHRALDH1A1USP2POLB |
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-2021202600-A1 | SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-10-07 | — | — | WO | disclosed |