Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | GLA | P06280 | 5/20 | 0.58 |
| ▸ | GAA | P10253 | 5/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.58 |
| ▸ | RELA | Q04206 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | NPY1R | P25929 | 1/20 | 0.58 |
| ▸ | NPY2R | P49146 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 4/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL29467854 | 1.00 | KCNH2 (0.86) | KCNH2ALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL13187006 | 0.93 | KCNH2 (1.00) | KCNH2ALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL13508781 | 0.92 | KCNH2 (0.81) | KCNH2ALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL13508780 | 0.90 | KCNH2 (0.78) | KCNH2ALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL13186753 | 0.86 | KCNH2 (0.88) | KCNH2ALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL28691994 | 0.85 | KCNH2 (0.68) | KCNH2ALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL28866396 | 0.85 | KCNH2 (0.68) | KCNH2ALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL29467907 | 0.85 | KCNH2 (0.68) | KCNH2ALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL13186726 | 0.85 | KCNH2 (0.70) | KCNH2ALDH1A1KDM4ESMN1; SMN2RAB9A | |
| SCHEMBL13508785 | 0.85 | KCNH2 (0.78) | KCNH2ALDH1A1KDM4ESMN1; SMN2RAB9A |
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-108947911-B | Benzimidazole compound with anti-hepatitis B virus activity and antibacterial activity and synthesis method and application thereof | 中山大学 | 2022-02-22 | — | — | CN | disclosed |