Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 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 | |
|---|---|---|---|---|
| SCHEMBL6906894 | 0.87 | FOLH1 (0.44) | AKR1C3CLCN2TSHRFOLH1ALDH1A1 | |
| SCHEMBL343948 | 0.85 | FOLH1 (0.43) | CLCN2TSHRFOLH1ALDH1A1ALOX15 | |
| SCHEMBL3953768 | 0.83 | AKR1C3 (0.55) | AKR1C3POLBMYCCLCN2TSHR | |
| Benzoic Acid SCHEMBL11156159 | 0.82 | TSHR (0.56) | AKR1C3POLBCLCN2TSHRFOLH1 | |
| SCHEMBL5048768 | 0.81 | FOLH1 (0.53) | CLCN2TSHRFOLH1ALDH1A1ALOX15 | |
| SCHEMBL9498502 | 0.79 | AKR1C3 (0.48) | AKR1C3POLBFOLH1CDC25BATM | |
| SCHEMBL10971044 | 0.78 | AKR1C3 (0.52) | AKR1C3POLBTSHRFOLH1CDC25B | |
| SCHEMBL165213 | 0.77 | AKR1C3 (0.71) | AKR1C3POLBMYCTSHRCDC25B | |
| SCHEMBL11654353 | 0.77 | BID (0.52) | AKR1C3CLCN2TSHRFOLH1ALOX15 | |
| SCHEMBL28863329 | 0.76 | HMGB1 (0.38) | CLCN2TSHRFOLH1ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-5107004-A | 2-NEOPENTYLANTHRAQUINONE, PROCESSES FOR ITS PREPARATION AND METHODS FOR ITS USE | BASF AKTIENGESELLSCHAFT (DE) | 1992-04-21 | — | — | US | disclosed |