Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | MGLL | Q99685 | 3/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL20067373 | 0.93 | CA2 (0.40) | CA1CA2MGLLENPP2CA4 | |
| SCHEMBL21125624 | 0.93 | CA1 (0.47) | CA1CA2MGLLENPP2CA4 | |
| SCHEMBL26572527 | 0.91 | AHR (0.42) | CA1CA2MGLLENPP2CA4 | |
| SCHEMBL26815524 | 0.88 | AHR (0.45) | CA1CA2MGLLENPP2CA4 | |
| SCHEMBL12203174 | 0.87 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4ETDP1L3MBTL1 | |
| SCHEMBL25119045 | 0.84 | MGLL (0.49) | CA1CA2MGLLENPP2CA4 | |
| SCHEMBL22725770 | 0.83 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4ETDP1L3MBTL1 | |
| SCHEMBL24268316 | 0.83 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4ETDP1L3MBTL1 | |
| SCHEMBL27101539 | 0.82 | MAPT (0.42) | CA1CA2MGLLENPP2CA4 | |
| SCHEMBL21968642 | 0.82 | AHR (0.52) | ALDH1A1MAPTKDM4ETDP1L3MBTL1 |
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-107698601-B | Heterocyclic compound and organic electroluminescent element comprising same | 株式会社LG化学 | 2022-01-04 | — | — | CN | disclosed |