Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.54 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.54 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.54 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL12470982 | 0.86 | PRMT5 (0.70) | ACHEPRMT5CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL10609442 | 0.84 | NPC1 (0.66) | ACHEKDM4ENPC1ALDH1A1PKM | |
| SCHEMBL28201503 | 0.82 | NPC1 (0.41) | KDM4ENPC1ALDH1A1PKMRAB9A | |
| SCHEMBL10061945 | 0.80 | NPC1 (0.61) | ACHECHRNB4CHRNA3CHRNA7KDM4E | |
| SCHEMBL484162 | 0.77 | CHEK2 (0.57) | ACHEPRMT5KDM4ENPC1ALDH1A1 | |
| SCHEMBL465492 | 0.76 | ACHE (0.75) | ACHECHRNB4CHRNA3CHRNA7KDM4E | |
| SCHEMBL465443 | 0.76 | ACHE (0.75) | ACHECHRNB4CHRNA3CHRNA7KDM4E | |
| SCHEMBL12459750 | 0.76 | GSTP1 (0.58) | RAB9ASMN1; SMN2HDAC6 | |
| SCHEMBL31453872 | 0.76 | APP (0.48) | CHRNB4CHRNA3CHRNA7NPC1ALDH1A1 | |
| SCHEMBL28608830 | 0.76 | GSTP1 (0.48) | KDM4EALDH1A1RAB9AHDAC6 |
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-107602478-A | A kind of novel benzimidazoles ion monomer and preparation method thereof | 浙江大学 | 2018-01-19 | — | — | CN | disclosed |