Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 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 SCHEMBL226160 | 0.92 | ALDH1A1 (0.54) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Dioxane SCHEMBL169772 | 0.91 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Dioxane SCHEMBL11662744 | 0.89 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL8881106 | 0.89 | — | — | |
| Hexane SCHEMBL5580132 | 0.89 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRL3MBTL1 | |
| Dioxane SCHEMBL28111016 | 0.87 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Hexane SCHEMBL2885390 | 0.87 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRL3MBTL1 | |
| Hexane SCHEMBL2367795 | 0.87 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRL3MBTL1 | |
| Hexane SCHEMBL1110511 | 0.87 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRL3MBTL1 | |
| Ethyl Acetate SCHEMBL5778793 | 0.87 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0135249-B1 | STYRENE DERIVATIVES | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1986-11-12 | — | — | EP | disclosed |