Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.34 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15187595 | 0.88 | ALDH1A1 (0.38) | ALDH1A1TDP1POLBL3MBTL1GAA | |
| SCHEMBL7438728 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TDP1POLBL3MBTL1GAA | |
| SCHEMBL7258705 | 0.78 | ALDH1A1 (0.42) | ALDH1A1TDP1POLBL3MBTL1GAA | |
| Hydrochloric Acid SCHEMBL4915526 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TDP1POLBL3MBTL1GAA | |
| SCHEMBL4574904 | 0.75 | TAAR1 (0.40) | ALDH1A1MAPTTAAR1PNMTLMNA | |
| SCHEMBL7446162 | 0.75 | POLB (0.44) | ALDH1A1TDP1POLBL3MBTL1GAA | |
| SCHEMBL29573161 | 0.75 | POLB (0.44) | ALDH1A1TDP1POLBL3MBTL1GAA | |
| SCHEMBL27502550 | 0.75 | PNMT (0.46) | ALDH1A1TDP1POLBL3MBTL1GAA | |
| SCHEMBL7258864 | 0.74 | TAAR1 (0.53) | ALDH1A1TDP1POLBL3MBTL1GAA | |
| SCHEMBL6939595 | 0.74 | HTR2A (0.48) | ALDH1A1L3MBTL1LMNACYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109574960-B | Docetaxel derivative and preparation method and application thereof | 南京友怡医药科技有限公司 | 2023-03-21 | — | — | CN | claimed |
| CN-109574960-B | Docetaxel derivative and preparation method and application thereof | 南京友怡医药科技有限公司 | 2023-03-21 | — | — | CN | disclosed |