Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9322943 | 0.82 | HCAR2 (0.44) | HCAR2ALDH1A1HCAR3 | |
| SCHEMBL15284409 | 0.80 | HCAR2 (0.42) | HCAR2ALDH1A1KDM4ELMNATDP1 | |
| SCHEMBL3403926 | 0.76 | HCAR2 (0.37) | HCAR2ALDH1A1KDM4ETSHR | |
| SCHEMBL300079 | 0.74 | HCAR2 (0.35) | HCAR2ALDH1A1KDM4ELMNA | |
| SCHEMBL29956837 | 0.72 | HCAR2 (0.33) | HCAR2LMNA | |
| SCHEMBL951653 | 0.71 | CALM1 (0.39) | ALDH1A1KDM4ELMNAHSD17B10 | |
| SCHEMBL2522318 | 0.70 | GRN (0.37) | — | |
| SCHEMBL9978972 | 0.70 | — | — | |
| SCHEMBL950980 | 0.69 | KCNH2 (0.48) | ALDH1A1DAO | |
| SCHEMBL7826351 | 0.69 | KMT2A (0.44) | ALDH1A1KDM4ELMNAPOLBTDP1 |
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-103373985-B | Heterocyclic compounds and their use | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2015-10-28 | — | — | CN | disclosed |