Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11440339 | 0.91 | TSHR (0.46) | TSHRGAASMN1; SMN2ADORA3KDM4E | |
| SCHEMBL57714 | 0.83 | TSHR (0.49) | TSHRGAASMN1; SMN2ADORA3KDM4E | |
| SCHEMBL14967143 | 0.81 | TSHR (0.48) | TSHRGAASMN1; SMN2ADORA3KDM4E | |
| SCHEMBL14967798 | 0.80 | TSHR (0.47) | TSHRGAASMN1; SMN2ADORA3MEN1 | |
| SCHEMBL11448217 | 0.78 | TSHR (0.44) | TSHRGAASMN1; SMN2ADORA3KDM4E | |
| SCHEMBL27948096 | 0.78 | TSHR (0.44) | TSHRGAASMN1; SMN2ADORA3KDM4E | |
| SCHEMBL11438737 | 0.76 | ALDH1A1 (0.50) | TSHRGAAKDM4EMEN1KMT2A | |
| SCHEMBL14967133 | 0.74 | OPRM1 (0.43) | TSHRGAASMN1; SMN2MEN1KMT2A | |
| SCHEMBL15679218 | 0.74 | TSHR (0.43) | TSHRGAASMN1; SMN2ADORA3KDM4E | |
| SCHEMBL17126936 | 0.74 | TSHR (0.43) | TSHRGAASMN1; SMN2ADORA3KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115403593-B | Method for synthesizing chiral purine [3,2-c ] oxazole compound by cycloaddition | 河南师范大学 | 2024-02-02 | — | — | CN | disclosed |
| CN-115403593-A | Method for synthesizing chiral purine [3,2-c ] oxazole compound through cycloaddition | 河南师范大学 | 2022-11-29 | — | — | CN | disclosed |
| US-4235923-A | Esters of 3-substituted-2-(aminocarbonyl)oxiranecarboxylic acids as lipogenesis inhibitors | SHELL OIL COMPANY (US) | 1980-11-25 | — | — | US | disclosed |