Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL5459793 | 0.78 | TSHR (0.46) | TSHRDPP4KCNN4F2ALDH1A1 | |
| SCHEMBL21753496 | 0.76 | TSHR (0.44) | TSHRKCNN4ALDH1A1CNR1CNR2 | |
| SCHEMBL8525796 | 0.76 | TSHR (0.55) | TSHRDPP4F2HTR2ATAAR1 | |
| SCHEMBL28497584 | 0.76 | TSHR (0.48) | TSHRKCNN4ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL544573 | 0.74 | TSHR (0.39) | TSHRDPP4KCNN4F2ALDH1A1 | |
| SCHEMBL2789075 | 0.72 | TSHR (0.50) | TSHRDPP4F2HTR2ATAAR1 | |
| SCHEMBL1505841 | 0.72 | TSHR (0.50) | TSHRDPP4F2ALDH1A1HTR2A | |
| SCHEMBL6741619 | 0.72 | TAAR1 (0.41) | DPP4KCNN4F2ALDH1A1CYP1A2 | |
| SCHEMBL10999597 | 0.70 | TSHR (0.38) | TSHRALDH1A1KCNA5CYP1A2CNR1 | |
| SCHEMBL28837273 | 0.70 | SRC (0.39) | TSHRDPP4KCNN4F2ALDH1A1 |
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-115677508-A | Preparation method of glycol mononitrate | 万华化学集团股份有限公司 | 2023-02-03 | — | — | CN | claimed |
| CN-115677508-A | Preparation method of glycol mononitrate | 万华化学集团股份有限公司 | 2023-02-03 | — | — | CN | disclosed |