Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL564408 | 0.97 | CA2 (0.43) | CA2CA4CA5ACFTRALDH1A1 | |
| SCHEMBL28087904 | 0.94 | CA2 (0.42) | CA2CA4CA5ACFTRALDH1A1 | |
| SCHEMBL15397878 | 0.94 | CA2 (0.42) | CA2CA4CA5ACFTRALDH1A1 | |
| SCHEMBL3957389 | 0.94 | CA2 (0.42) | CA2CA4CA5ACFTRALDH1A1 | |
| Hydrochloric Acid SCHEMBL10713177 | 0.92 | CA2 (0.40) | CA2CA4CA5ACFTRALDH1A1 | |
| SCHEMBL10712482 | 0.87 | CA2 (0.37) | CA2CA4CA5ACFTRALDH1A1 | |
| Acetic Acid SCHEMBL19208997 | 0.85 | KMT2A (0.41) | CA2CA4CA5ACFTRALDH1A1 | |
| SCHEMBL15253683 | 0.77 | RAB9A (0.43) | ALDH1A1GAATDP1MAPTNPSR1 | |
| SCHEMBL10621620 | 0.77 | MAPT (0.42) | CA2CA4CA5ACFTRALDH1A1 | |
| SCHEMBL7435006 | 0.76 | CA2 (0.40) | CA2CA4CA5ACFTRALDH1A1 |
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-114516779-A | Method for selective functionalization of bicycloheptatriene-rubine (DHR) and derivatization application thereof | 中国科学院化学研究所 | 2022-05-20 | — | — | CN | claimed |
| CN-115872466-A | Iridium oxide and preparation method thereof | 苏州擎动动力科技有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-114516779-B | Selective functionalization method of bicycloheptatriene-rubine (DHR) and derivatization application thereof | 中国科学院化学研究所 | 2023-03-31 | — | — | CN | disclosed |
| CN-114516779-A | Method for selective functionalization of bicycloheptatriene-rubine (DHR) and derivatization application thereof | 中国科学院化学研究所 | 2022-05-20 | — | — | CN | disclosed |