Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.50 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.50 |
| ▸ | ABAT | P80404 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL306096 | 0.93 | TSHR (0.67) | TSHRCYP3A4GPR35MAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11468634 | 0.91 | TSHR (0.64) | TSHRCYP3A4GPR35MAPK1ALDH1A1 | |
| Methoxymethane SCHEMBL5798314 | 0.87 | TSHR (0.60) | TSHRCYP3A4GPR35MAPK1ALDH1A1 | |
| P-Cresol SCHEMBL11753373 | 0.86 | TSHR (0.58) | TSHRCYP3A4GPR35MAPK1ALDH1A1 | |
| 2,4-Dinitrophenol SCHEMBL27745042 | 0.80 | GPR35 (0.85) | TSHRGPR35MAPK1ALDH1A1TP53 | |
| SCHEMBL9318661 | 0.78 | TSHR (0.54) | TSHRCYP3A4GPR35MAPK1ALDH1A1 | |
| SCHEMBL31096484 | 0.77 | TSHR (0.67) | TSHRCYP3A4GPR35MAPK1ALDH1A1 | |
| SCHEMBL56264 | 0.77 | TSHR (0.67) | TSHRCYP3A4GPR35MAPK1ALDH1A1 | |
| Morpholine SCHEMBL27985030 | 0.77 | TSHR (0.47) | TSHRCYP3A4GPR35MAPK1ALDH1A1 | |
| SCHEMBL5500201 | 0.77 | GPR35 (0.51) | TSHRCYP3A4GPR35MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113121356-B | Automatic power continuous nitration method and device | 中化安全科学研究(沈阳)有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-113121356-A | Automatic power continuous nitration method and device | 中化安全科学研究(沈阳)有限公司 | 2021-07-16 | — | — | CN | disclosed |