Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | POLQ | O75417 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2964988 | 0.89 | GABRA1 (0.45) | GABRA1GABRB2ALDH1A1MAPTPOLQ | |
| SCHEMBL10522348 | 0.76 | GABRA1 (0.46) | GABRA1GABRB2ALDH1A1MAPTPOLQ | |
| SCHEMBL5530171 | 0.75 | GABRA1 (0.42) | GABRA1GABRB2MAPTPOLQCLCN2 | |
| SCHEMBL10218791 | 0.74 | GABRA1 (0.45) | GABRA1GABRB2ALDH1A1MAPTPOLQ | |
| SCHEMBL10448955 | 0.74 | GABRA1 (0.45) | GABRA1GABRB2ALDH1A1MAPTPOLQ | |
| SCHEMBL10965484 | 0.73 | GABRA1 (0.37) | GABRA1GABRB2ALDH1A1MAPTPOLQ | |
| SCHEMBL5576461 | 0.73 | GABRA1 (0.41) | GABRA1GABRB2ALDH1A1KDM4EATM | |
| SCHEMBL20592727 | 0.73 | POLQ (0.44) | GABRA1GABRB2ALDH1A1MAPTPOLQ | |
| SCHEMBL7192004 | 0.73 | GABRA1 (0.43) | GABRA1GABRB2ALDH1A1MAPTPOLQ | |
| SCHEMBL8979073 | 0.72 | PIN1 (0.46) | GABRA1GABRB2ALDH1A1KDM4ENPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104397-B1 | METHOD FOR PRODUCING ATROPIC ACID ETHYL ESTER | BASF AG (DE) | 2004-03-03 | — | — | EP | disclosed |
| EP-1104397-A1 | METHOD FOR PRODUCING ATROPIC ACID ETHYL ESTER | KNOLL AKTIENGESELLSCHAFT (DE) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009469-A1 | METHOD FOR PRODUCING ATROPIC ACID ETHYL ESTER | KNOLL AKTIENGESELLSCHAFT (DE) | 2000-02-24 | — | — | WO | disclosed |