Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 3/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | ADH7 | P40394 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21142990 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRSMN1; SMN2TDP1 | |
| SCHEMBL9147679 | 0.79 | TSHR (0.52) | ALDH1A1CYP3A4TSHRSMN1; SMN2TDP1 | |
| SCHEMBL11588193 | 0.78 | TSHR (0.61) | ALDH1A1CYP3A4TSHRSMN1; SMN2TDP1 | |
| SCHEMBL21143024 | 0.76 | TSHR (0.65) | ALDH1A1CYP3A4TSHRSMN1; SMN2TDP1 | |
| SCHEMBL11627642 | 0.76 | TSHR (0.65) | ALDH1A1CYP3A4TSHRSMN1; SMN2TDP1 | |
| SCHEMBL15266214 | 0.74 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TSHRSMN1; SMN2TDP1 | |
| SCHEMBL4652994 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRSMN1; SMN2TDP1 | |
| SCHEMBL4281881 | 0.73 | ALDH1A1 (0.62) | ALDH1A1CYP3A4TSHRSMN1; SMN2TDP1 | |
| SCHEMBL22032449 | 0.73 | ADH1B (0.44) | ALDH1A1CYP3A4TSHRSMN1; SMN2TDP1 | |
| SCHEMBL15611534 | 0.73 | TSHR (0.61) | ALDH1A1CYP3A4TSHRSMN1; SMN2TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107619950-A | A kind of extracts composition, extraction system and its application | 中国科学院上海有机化学研究所 | 2018-01-23 | — | — | CN | disclosed |