Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | TSHR | P16473 | 4/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5305593 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TSHRHSD17B10TDP1CA1 | |
| SCHEMBL1331977 | 0.84 | — | — | |
| SCHEMBL1330344 | 0.84 | — | — | |
| SCHEMBL1331774 | 0.84 | — | — | |
| SCHEMBL9866292 | 0.84 | — | — | |
| SCHEMBL523 | 0.84 | — | — | |
| SCHEMBL11685902 | 0.81 | — | — | |
| SCHEMBL9586649 | 0.81 | ALDH1A1 (0.91) | ALDH1A1TSHRHSD17B10TDP1CA1 | |
| SCHEMBL3957549 | 0.81 | — | — | |
| SCHEMBL20540869 | 0.81 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117777153-A | 20 (S) -10, 11-difluoro methylenedioxy camptothecine derivative and preparation method and application thereof | 浙江工业大学 | 2024-03-29 | — | — | CN | claimed |
| CN-115650827-B | Preparation method, intermediate compound and synthesis method for anthracycline derivatives | 戊言医药科技（上海）有限公司 | 2024-03-15 | — | — | CN | claimed |
| CN-115650827-A | Preparation method, intermediate compound and synthesis method for anthracycline derivatives | 戊言医药科技（上海）有限公司 | 2023-01-31 | — | — | CN | claimed |
| CN-111777537-A | Preparation method of prostaglandin analogue | 南京栖云高活医药科技有限公司 | 2020-10-16 | — | — | CN | claimed |
| CN-117777153-A | 20 (S) -10, 11-difluoro methylenedioxy camptothecine derivative and preparation method and application thereof | 浙江工业大学 | 2024-03-29 | — | — | CN | disclosed |
| CN-115650827-B | Preparation method, intermediate compound and synthesis method for anthracycline derivatives | 戊言医药科技（上海）有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-115650827-A | Preparation method, intermediate compound and synthesis method for anthracycline derivatives | 戊言医药科技（上海）有限公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-111777537-A | Preparation method of prostaglandin analogue | 南京栖云高活医药科技有限公司 | 2020-10-16 | — | — | CN | disclosed |
| CN-111777538-A | Preparation method of bimatoprost | 南京栖云高活医药科技有限公司 | 2020-10-16 | — | — | CN | disclosed |