Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | KIF11 | P52732 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | KCNK2 | O95069 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.42 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL204711 | 0.91 | CA1 (0.47) | TSHRALDH1A1KIF11TRPV6CA1 | |
| SCHEMBL254896 | 0.80 | TSHR (0.59) | TSHRALDH1A1KIF11SLC6A4SLC6A2 | |
| SCHEMBL8885 | 0.79 | LTA4H (0.50) | TSHRALDH1A1CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL693111 | 0.77 | LTA4H (0.47) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL3318479 | 0.76 | LTA4H (0.40) | TSHRALDH1A1SLC6A4PPARGPPARA | |
| SCHEMBL289310 | 0.75 | TSHR (0.47) | TSHRALDH1A1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL449851 | 0.75 | LTA4H (0.63) | TSHRCA1CA2CA9NPC1 | |
| SCHEMBL1658934 | 0.74 | TSHR (0.36) | TSHRALDH1A1RAB9AALOX15LTA4H | |
| SCHEMBL4293490 | 0.74 | MAOB (0.32) | CA1CA2CA9 | |
| SCHEMBL820257 | 0.74 | KIF11 (0.44) | TSHRALDH1A1KIF11TRPV6CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114981249-A | Benzopyrrole derivative and organic electroluminescent element comprising same | 株式会社乐普拓 | 2022-08-30 | — | — | CN | disclosed |