Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15646784 | 0.82 | XDH (0.51) | HCAR2ACACBCTSLXDHALDH1A1 | |
| SCHEMBL27877527 | 0.80 | MEN1 (0.62) | MEN1KMT2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL27822263 | 0.78 | ALDH1A1 (0.53) | MEN1KMT2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL10671315 | 0.77 | HCAR2 (0.45) | HCAR2ACACBCTSLMEN1KMT2A | |
| SCHEMBL3436067 | 0.75 | CTSL (0.45) | ACACBCTSLALDH1A1KDM4EHSD17B10 | |
| SCHEMBL8380943 | 0.73 | GAA (0.53) | MEN1KMT2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL28159463 | 0.71 | KDM4E (0.51) | HCAR2MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL669122 | 0.71 | HCAR2 (0.58) | HCAR2ALDH1A1BCAT2KDM4EGRM5 | |
| SCHEMBL2491694 | 0.71 | ALDH1A1 (0.59) | HCAR2XDHALDH1A1ATMKDM4E | |
| SCHEMBL5768937 | 0.70 | KMT2A (0.42) | HCAR2CTSLMEN1KMT2AALDH1A1 |
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-106231901-A | Metal enzyme inhibitor compound as antifungal | 美国陶氏益农公司 | 2016-12-14 | — | — | CN | disclosed |