Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 3/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8745721 | 0.89 | — | — | |
| SCHEMBL6403695 | 0.80 | EPHX1 (0.45) | ALDH1A1EPHX1TSHRTHRBSLC22A1 | |
| SCHEMBL7634559 | 0.75 | EPHX1 (0.41) | ALDH1A1EPHX1TSHRTHRBSLC22A1 | |
| SCHEMBL6396707 | 0.72 | ALDH1A1 (0.44) | ALDH1A1EPHX1TSHRTHRBNOS1 | |
| Hexadecane SCHEMBL23499901 | 0.65 | TSHR (1.00) | ALDH1A1TSHRTHRBSLC22A1HSD17B10 | |
| SCHEMBL23854647 | 0.65 | TSHR (1.00) | ALDH1A1TSHRTHRBSLC22A1HSD17B10 | |
| Decane SCHEMBL170135 | 0.65 | TSHR (1.00) | ALDH1A1TSHRTHRBSLC22A1HSD17B10 | |
| Tetradecane SCHEMBL23924271 | 0.65 | TSHR (1.00) | ALDH1A1TSHRTHRBSLC22A1HSD17B10 | |
| Decane SCHEMBL3666565 | 0.65 | TSHR (1.00) | ALDH1A1TSHRTHRBSLC22A1HSD17B10 | |
| Hexadecane SCHEMBL22136 | 0.65 | TSHR (1.00) | ALDH1A1TSHRTHRBSLC22A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002079753-A2 | 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2002-10-10 | — | — | WO | disclosed |