Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Diethylene Glycol Monoethyl Ether SCHEMBL4837261 | 0.87 | THRB (0.50) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| Diethylene Glycol Monoethyl Ether SCHEMBL302083 | 0.84 | TSHR (0.72) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| SCHEMBL14625765 | 0.83 | CYP3A4 (0.68) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL9004277 | 0.83 | CYP3A4 (0.50) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| SCHEMBL146937 | 0.83 | CYP3A4 (0.68) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL7771146 | 0.82 | CYP3A4 (0.54) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| SCHEMBL10930013 | 0.82 | CYP3A4 (0.66) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| SCHEMBL28146062 | 0.82 | CYP3A4 (0.66) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL1878882 | 0.82 | CYP3A4 (0.66) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL1493257 | 0.81 | TSHR (0.51) | TSHRCYP3A4ATMTDP1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4340524-A | HYDROPHOBIC RESINS AND HYDROLYZABLE AMINOSILANES | UNION CARBIDE CORPORATION (US) | 1982-07-20 | — | — | US | disclosed |
| EP-0043127-A1 | Water-resistant polyacrylate-latex sealants and process for preparing the same | UNION CARBIDE CORPORATION (US) | 1982-01-06 | — | — | EP | disclosed |