Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL8466180 | 0.97 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Heptane SCHEMBL457572 | 0.97 | LMNA (0.67) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL5571431 | 0.97 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL195732 | 0.97 | — | — | |
| 1-Hexanol SCHEMBL28179252 | 0.94 | LMNA (0.72) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL14142204 | 0.94 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL1440709 | 0.94 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL8610852 | 0.94 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| 1-Pentanol SCHEMBL6849410 | 0.94 | SMN1; SMN2 (0.75) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Hexane SCHEMBL28618120 | 0.94 | SMN1; SMN2 (0.75) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 |
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-114853760-A | Preparation method of luccotinib intermediate | 南京正大天晴制药有限公司 | 2022-08-05 | — | — | CN | disclosed |