Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2368837 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1HSD17B10TSHR | |
| SCHEMBL9327668 | 0.81 | ALDH1A1 (0.46) | CYP1A2CYP2A6ALDH1A1HSD17B10TSHR | |
| SCHEMBL2516404 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1HSD17B10TSHR | |
| SCHEMBL3277146 | 0.78 | CYP2A6 (0.41) | CYP1A2CYP2A6ALDH1A1HSD17B10TSHR | |
| SCHEMBL517685 | 0.78 | ALDH1A1 (0.53) | CYP1A2CYP2A6ALDH1A1HSD17B10TSHR | |
| SCHEMBL9327672 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2A6ALDH1A1HSD17B10TSHR | |
| SCHEMBL29390280 | 0.75 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1HSD17B10TSHR | |
| SCHEMBL135987 | 0.75 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1HSD17B10TSHR | |
| SCHEMBL11861469 | 0.73 | ALDH1A1 (0.48) | CYP1A2CYP2A6ALDH1A1HSD17B10TSHR | |
| SCHEMBL15658735 | 0.73 | ALDH1A1 (0.48) | CYP1A2CYP2A6ALDH1A1HSD17B10TSHR |
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-5283350-A | Aryl esters of phosphonous halides and a process for the preparation thereof | HOECHST AKTIENGESELLSHAFT (DE) | 1994-02-01 | — | — | US | disclosed |