Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL534868 | 0.85 | TSHR (0.58) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL534802 | 0.84 | TSHR (0.56) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL16536696 | 0.81 | TSHR (0.57) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL347533 | 0.81 | TSHR (0.56) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL16537166 | 0.81 | TSHR (0.56) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL16537680 | 0.80 | TSHR (0.56) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL3376502 | 0.80 | TSHR (0.55) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL7878189 | 0.80 | TSHR (0.59) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL5160294 | 0.80 | TSHR (0.59) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL17440410 | 0.80 | TSHR (0.63) | TSHRHPGDALDH1A1CYP3A4TP53 |
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-2008048698-A2 | CHEMICAL SWITCHES FOR DETECTING REACTIVE CHEMICAL AGENTS | TRUSTEES OF TUFTS COLLEGE (US) | 2008-04-24 | — | — | WO | claimed |