Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 1/20 | 0.55 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.55 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28608411 | 0.77 | ACHE (0.50) | TDP1ACHELMNATSHRALDH1A1 | |
| SCHEMBL1128381 | 0.76 | ACHE (0.57) | TDP1ACHELMNATSHRALDH1A1 | |
| SCHEMBL4405136 | 0.72 | BBOX1 (0.55) | BBOX1EHMT2EHMT1LMNATSHR | |
| SCHEMBL10866382 | 0.72 | BBOX1 (0.48) | BBOX1EHMT2EHMT1ALDH1A1SMN1; SMN2 | |
| P-Xylene SCHEMBL9481036 | 0.71 | ACHE (0.89) | TDP1ACHELMNATSHRALDH1A1 | |
| Toluene SCHEMBL28038653 | 0.69 | LMNA (0.65) | BBOX1EHMT2EHMT1TDP1ACHE | |
| P-Xylene SCHEMBL28696945 | 0.67 | ACHE (0.80) | TDP1ACHELMNATSHRALDH1A1 | |
| P-Xylene SCHEMBL9720651 | 0.67 | ACHE (0.80) | TDP1ACHELMNATSHRALDH1A1 | |
| P-Xylene SCHEMBL6272681 | 0.67 | ACHE (0.80) | TDP1ACHELMNATSHRALDH1A1 | |
| P-Xylene SCHEMBL28442305 | 0.67 | ACHE (0.80) | TDP1ACHELMNATSHRALDH1A1 |
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-105384658-B | A kind of method for synthesizing anise nitrile | 扬州大学 | 2017-11-17 | — | — | CN | disclosed |