Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9744706 | 0.87 | SMN1; SMN2 (0.41) | TYRESR1ESR2IDO1TSHR | |
| SCHEMBL10629735 | 0.86 | TYR (0.44) | TYRESR1ESR2IDO1TSHR | |
| 2-Methylpentanal SCHEMBL4778956 | 0.81 | TSHR (0.51) | TYRESR1ESR2IDO1TSHR | |
| SCHEMBL8970949 | 0.81 | TYR (0.42) | TYRESR1ESR2IDO1TSHR | |
| SCHEMBL1546515 | 0.80 | TAAR1 (0.46) | EPHX1 | |
| SCHEMBL29487262 | 0.76 | TSHR (0.61) | TYRESR1ESR2IDO1TSHR | |
| SCHEMBL1148 | 0.76 | TSHR (0.61) | TYRESR1ESR2IDO1TSHR | |
| SCHEMBL27972127 | 0.74 | TYR (0.47) | TYRIDO1LMNACYP2C9L3MBTL1 | |
| SCHEMBL28245936 | 0.74 | TYR (0.47) | TYRESR1ESR2IDO1TSHR | |
| SCHEMBL10078239 | 0.73 | IDO1 (0.46) | TYRIDO1TSHRTP53ACACB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2431361-A1 | ASCORBIC ACID ARYL ACETATE/PROPIONATE ESTER, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF | Wuxi Hongrui Biomedical Technology Co., Ltd. (CN) | 2012-03-21 | — | — | EP | disclosed |