Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.35 |
| ▸ | L3MBTL3 | Q96JM7 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3111664 | 0.84 | GAA (0.46) | PIM1L3MBTL1GAAMEN1POLB | |
| SCHEMBL11202964 | 0.80 | HRH3 (0.37) | HRH3PIM1GAA | |
| SCHEMBL22901758 | 0.75 | KCNH2 (0.71) | KCNH2CHIT1 | |
| SCHEMBL22903462 | 0.75 | CHIT1 (0.71) | KCNH2CHIT1 | |
| SCHEMBL22901752 | 0.75 | CHIT1 (0.71) | KCNH2CHIT1 | |
| SCHEMBL22903470 | 0.75 | KCNH2 (0.71) | KCNH2CHIT1 | |
| SCHEMBL18291244 | 0.69 | MAP4K4 (0.47) | HRH3MAP4K4L3MBTL3L3MBTL1MEN1 | |
| SCHEMBL77976 | 0.68 | L3MBTL3 (0.59) | HRH3MAP4K4L3MBTL3L3MBTL1GAA | |
| SCHEMBL22903468 | 0.66 | CHIA (0.39) | CHIT1 | |
| SCHEMBL3168997 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017037670-A1 | SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS | OncoArendi Therapeutics Sp. z o.o. (PL) | 2017-03-09 | — | — | WO | disclosed |