Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.32 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL28276784 | 0.88 | MEN1 (0.41) | TSHRALDH1A1 | |
| SCHEMBL12085235 | 0.86 | ACHE (0.39) | ACHE | |
| SCHEMBL7598967 | 0.83 | HCAR2 (0.41) | TSHRALDH1A1SLC22A6TDP1SMN1; SMN2 | |
| SCHEMBL13168078 | 0.83 | SLC22A6 (0.33) | SLC22A6CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL14417127 | 0.83 | TSHR (0.35) | TSHRALDH1A1ACHEADRA1A | |
| SCHEMBL4111791 | 0.79 | ALDH1A1 (0.48) | TSHRALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL28217966 | 0.78 | NAAA (0.47) | TSHRALDH1A1 | |
| SCHEMBL12132240 | 0.77 | CYP2C19 (0.38) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL786190 | 0.77 | ACHE (0.39) | TSHRALDH1A1ACHE | |
| SCHEMBL13876695 | 0.77 | ACHE (0.39) | TSHRALDH1A1ACHE |
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-110078902-B | Method for synthesizing glycol polyester plasticizer | 镇江巨杰新材料技术研发中心(有限合伙) | 2021-09-24 | — | — | CN | disclosed |