Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1052816 | 0.78 | TSHR (0.46) | TSHRTRPA1L3MBTL1ALDH1A1DPP4 | |
| SCHEMBL2477593 | 0.78 | TSHR (0.50) | TSHRTRPA1L3MBTL1ALDH1A1DPP4 | |
| SCHEMBL544445 | 0.74 | TSHR (0.46) | TSHRTRPA1L3MBTL1ALDH1A1DPP4 | |
| SCHEMBL2372210 | 0.74 | TSHR (0.46) | TSHRTRPA1L3MBTL1ALDH1A1DPP4 | |
| SCHEMBL9489967 | 0.74 | TSHR (0.46) | TSHRTRPA1L3MBTL1ALDH1A1DPP4 | |
| SCHEMBL28671673 | 0.72 | TRPA1 (0.41) | TSHRTRPA1ALDH1A1HTTUSP2 | |
| SCHEMBL16133500 | 0.71 | TSHR (0.43) | TSHRTRPA1L3MBTL1ALDH1A1DPP4 | |
| SCHEMBL6058134 | 0.71 | TSHR (0.43) | TSHRTRPA1L3MBTL1ALDH1A1DPP4 | |
| SCHEMBL7202119 | 0.70 | TSHR (0.41) | TSHRL3MBTL1ALDH1A1LMNAHPGD | |
| SCHEMBL28737272 | 0.70 | TRPA1 (0.42) | TRPA1ALDH1A1LMNACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107954899-A | A kind of synthetic method of tree peony nitrile | 江苏馨瑞香料有限公司 | 2018-04-24 | — | — | CN | disclosed |