Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7987012 | 0.88 | TSHR (0.46) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL127382 | 0.84 | TSHR (0.44) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL3203187 | 0.83 | TSHR (0.59) | TSHRHPGDALDH1A1TP53HIF1A | |
| Water SCHEMBL28400901 | 0.83 | TSHR (0.43) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL16294460 | 0.82 | TSHR (0.59) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL22063816 | 0.80 | TSHR (0.55) | TSHRHPGDALDH1A1TP53HIF1A | |
| Sulfuric Acid SCHEMBL10416096 | 0.79 | TSHR (0.50) | TSHRHPGDALDH1A1TP53HIF1A | |
| Trimethylammonium SCHEMBL4972938 | 0.78 | TSHR (0.53) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL7050406 | 0.77 | TSHR (0.60) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL2783974 | 0.77 | TSHR (0.47) | TSHRHPGDALDH1A1TP53HIF1A |
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-20090130374-A1 | STAIN AND SOIL REPELLENT COMPOSITION | INVISTA NORTH AMERICA S.A.R.L. (US) | 2009-05-21 | — | — | US | disclosed |