Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | UBE2N | P61088 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL730338 | 0.84 | LMNA (0.43) | LMNATSHRMAPTCYP3A4SMN1; SMN2 | |
| SCHEMBL20530446 | 0.84 | LMNA (0.43) | LMNATSHRMAPTCYP3A4SMN1; SMN2 | |
| Water SCHEMBL6553209 | 0.82 | LMNA (0.41) | LMNATSHRMAPTCYP3A4SMN1; SMN2 | |
| SCHEMBL27924161 | 0.82 | LMNA (0.41) | LMNATSHRMAPTCYP3A4SMN1; SMN2 | |
| SCHEMBL18654167 | 0.82 | LMNA (0.41) | LMNAAKR1B1TSHRCYP2D6MAPT | |
| SCHEMBL16202974 | 0.78 | — | — | |
| SCHEMBL6358091 | 0.76 | TSHR (0.45) | LMNATSHRCYP2D6MAPTCYP3A4 | |
| Butanal SCHEMBL17181558 | 0.75 | ALDH1A1 (0.46) | LMNATSHRSMN1; SMN2 | |
| Butanal SCHEMBL6477363 | 0.75 | ALDH1A1 (0.46) | LMNATSHRSMN1; SMN2 | |
| SCHEMBL13964099 | 0.74 | TSHR (0.38) | LMNATSHRMAPTCYP3A4SMN1; SMN2 |
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-103597087-B | Preparation method of butyric acid, butanol and butyl ester | 财团法人工业技术研究院 | 2017-08-04 | — | — | CN | disclosed |