Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | IL1RN | P18510 | 1/20 | 0.42 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17199172 | 0.87 | KEAP1 (0.47) | KEAP1CA2CA12CA9CA7 | |
| SCHEMBL10533917 | 0.79 | KEAP1 (0.54) | KEAP1CA2CA12CA9CA7 | |
| SCHEMBL7101866 | 0.75 | KEAP1 (0.42) | KEAP1CA2CA12CA9CA7 | |
| SCHEMBL59151 | 0.75 | KEAP1 (0.64) | KEAP1CA2CA12CA9CA1 | |
| SCHEMBL8312186 | 0.75 | KEAP1 (0.54) | KEAP1CA2CA12CA9CA1 | |
| SCHEMBL28044678 | 0.73 | KEAP1 (0.52) | KEAP1CA2CA12CA9CA1 | |
| SCHEMBL674105 | 0.73 | ALDH1A1 (0.66) | KEAP1CA2CA1ALDH1A1KMT2A | |
| Water SCHEMBL27995894 | 0.73 | CA2 (0.52) | KEAP1CA2CA12CA9CA7 | |
| SCHEMBL4497321 | 0.73 | CA2 (0.73) | KEAP1CA2CA12CA9CA7 | |
| SCHEMBL19798391 | 0.73 | CA1 (0.55) | KEAP1CA2CA12CA9CA7 |
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-102574883-B | Organometallic complex, light-emitting element, display device, electronic device, and lighting device | SEMICONDUCTOR ENERGY LABORATORY CO.,LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |