Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | LSS | P48449 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13344429 | 0.95 | CYP2A6 (0.55) | TSHRHSD17B10CYP2A6HRH3LOXL2 | |
| SCHEMBL11102988 | 0.88 | TSHR (0.61) | TSHRHSD17B10CYP2A6HRH3MMP12 | |
| SCHEMBL11104834 | 0.85 | TSHR (0.67) | TSHRHSD17B10CYP2A6HRH3MMP12 | |
| SCHEMBL10824238 | 0.84 | RARB (0.48) | TSHRHSD17B10MMP12MMP13MAPT | |
| SCHEMBL11103383 | 0.84 | TSHR (0.69) | TSHRHSD17B10CYP2A6HRH3MMP12 | |
| Ether SCHEMBL11055481 | 0.83 | MMP3 (0.52) | TSHRHSD17B10CYP2A6HRH3MMP13 | |
| SCHEMBL11617640 | 0.83 | LOXL2 (0.52) | TSHRHSD17B10CYP2A6MMP12MMP13 | |
| SCHEMBL11100351 | 0.83 | TSHR (0.72) | TSHRHSD17B10CYP2A6HRH3MAPT | |
| SCHEMBL11110617 | 0.83 | TSHR (0.72) | TSHRHSD17B10CYP2A6HRH3MAPT | |
| SCHEMBL11103216 | 0.83 | TSHR (0.72) | TSHRHSD17B10CYP2A6HRH3MAPT |
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-4431564-A | 4'-/2-ALKYLOXYETHYL/-4-CYANOBI-OR TERPHENYLS; DISPLAYING; IODINATION AND CYANATION THE ESTER DERIVATIVE | CHISSO CORPORATION (JP) | 1984-02-14 | — | — | US | disclosed |