Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28009963 | 0.91 | TSHR (0.45) | TSHRALDH1A1ERN1HTTPOLB | |
| SCHEMBL2824579 | 0.76 | ALDH1A1 (0.50) | CYP19A1TSHRALDH1A1HTTLMNA | |
| SCHEMBL28948912 | 0.74 | ALDH1A1 (0.52) | CYP19A1TSHRALDH1A1ERN1HTT | |
| SCHEMBL8533694 | 0.74 | HTT (0.57) | CYP19A1TSHRALDH1A1ERN1HTT | |
| SCHEMBL8484182 | 0.74 | ALDH1A1 (0.61) | CYP19A1TSHRALDH1A1ERN1HTT | |
| SCHEMBL21068952 | 0.74 | CYP19A1 (0.44) | CYP19A1TSHRALDH1A1ERN1HTT | |
| SCHEMBL7310925 | 0.74 | TSHR (0.52) | CYP19A1TSHRALDH1A1ERN1HTT | |
| SCHEMBL11299792 | 0.71 | S100A4 (0.53) | TSHRALDH1A1ERN1POLBPTPN1 | |
| Formaldehyde SCHEMBL27742852 | 0.70 | CYP19A1 (0.72) | CYP19A1TSHRALDH1A1HTTPOLB | |
| SCHEMBL1548019 | 0.70 | CYP19A1 (0.50) | CYP19A1TSHRALDH1A1ERN1HTT |
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-115360349-A | Organic electrode material, positive electrode, flexible positive electrode and battery | 蜂巢能源科技股份有限公司 | 2022-11-18 | — | — | CN | claimed |
| CN-113292725-A | Pyrazine two-dimensional organic porous material and preparation method and application thereof | 南京工业大学 | 2021-08-24 | — | — | CN | claimed |
| CN-115360349-A | Organic electrode material, positive electrode, flexible positive electrode and battery | 蜂巢能源科技股份有限公司 | 2022-11-18 | — | — | CN | disclosed |