Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28927029 | 0.97 | ALDH1A1 (0.44) | ALDH1A1CA2CA4CA5ATSHR | |
| SCHEMBL99519 | 0.76 | CA2 (0.43) | ALDH1A1CA2CA4CA5ATSHR | |
| SCHEMBL28680131 | 0.76 | TSHR (0.47) | ALDH1A1CA2CA4CA5ATSHR | |
| SCHEMBL3449678 | 0.75 | CA2 (0.50) | ALDH1A1CA2CA4CA5ATSHR | |
| Triphenylphosphine Oxide SCHEMBL15533922 | 0.73 | CA2 (0.55) | ALDH1A1CA2CA4CA5ATSHR | |
| Triphenylphosphine Oxide SCHEMBL27429946 | 0.73 | LMNA (0.48) | ALDH1A1CA2CA4CA5ATSHR | |
| SCHEMBL22470753 | 0.72 | CA2 (0.45) | ALDH1A1CA2CA4CA5ATSHR | |
| SCHEMBL140712 | 0.71 | CA2 (0.52) | ALDH1A1CA2CA4CA5ATSHR | |
| SCHEMBL726307 | 0.71 | ESR1 (0.46) | ALDH1A1CA2CA4CA5ATSHR | |
| SCHEMBL95882 | 0.71 | CA2 (0.52) | ALDH1A1CA2CA4CA5ATSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115353517-B | Novel metalloporphyrin compound, preparation method thereof and application thereof in electrocatalytic oxygen reduction | 陕西师范大学 | 2024-08-30 | — | — | CN | claimed |
| CN-118307384-A | Asymmetric acene derivative semiconductor material and preparation method and application thereof | 中国科学院化学研究所 | 2024-07-09 | — | — | CN | claimed |
| CN-115353517-B | Novel metalloporphyrin compound, preparation method thereof and application thereof in electrocatalytic oxygen reduction | 陕西师范大学 | 2024-08-30 | — | — | CN | disclosed |
| CN-118307384-A | Asymmetric acene derivative semiconductor material and preparation method and application thereof | 中国科学院化学研究所 | 2024-07-09 | — | — | CN | disclosed |