Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.72 |
| ▸ | NPC1 | O15118 | 8/20 | 0.72 |
| ▸ | RAB9A | P51151 | 8/20 | 0.72 |
| ▸ | GAA | P10253 | 6/20 | 0.72 |
| ▸ | GLA | P06280 | 5/20 | 0.72 |
| ▸ | TP53 | P04637 | 4/20 | 0.72 |
| ▸ | HPGD | P15428 | 4/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | MAPT | P10636 | 6/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28701140 | 1.00 | SMN1; SMN2 (0.72) | SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL29467855 | 0.86 | SMN1; SMN2 (0.70) | SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL28692025 | 0.86 | SMN1; SMN2 (0.70) | SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL28707333 | 0.85 | SMN1; SMN2 (0.72) | SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL29467894 | 0.85 | SMN1; SMN2 (0.72) | SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL29467866 | 0.84 | SMN1; SMN2 (1.00) | SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL22822638 | 0.84 | SMN1; SMN2 (1.00) | SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL29467853 | 0.84 | KCNH2 (0.59) | SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL28691990 | 0.84 | KCNH2 (0.59) | SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL29467865 | 0.82 | KDM4E (0.71) | SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A |
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 |