Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP4 | P49662 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP9 | P55211 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9290406 | 0.79 | MEN1 (0.61) | CASP6GAAMEN1KMT2ARAB9A | |
| SCHEMBL28500614 | 0.74 | MAPT (0.38) | CASP6CASP1CASP3CASP4CASP7 | |
| SCHEMBL28490501 | 0.72 | GABRA1 (0.42) | CASP3ACHES100A4TRPV1MEN1 | |
| SCHEMBL7703726 | 0.70 | S100A4 (0.44) | GAAACHES100A4TRPV1MEN1 | |
| SCHEMBL7709778 | 0.69 | ALDH1A1 (0.45) | GAAACHES100A4TRPV1MEN1 | |
| SCHEMBL7706804 | 0.68 | HTT (0.47) | CASP6GAAACHEMEN1KMT2A | |
| SCHEMBL7484059 | 0.68 | MEN1 (0.61) | CASP6GAAMEN1KMT2ARAB9A | |
| SCHEMBL8618712 | 0.67 | MEN1 (0.73) | GAAMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL20033849 | 0.66 | MEN1 (0.41) | CASP6CASP1CASP3CASP4CASP7 | |
| SCHEMBL7485990 | 0.65 | MEN1 (0.61) | CASP6GAAMEN1KMT2ARAB9A |
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-112125885-A | Benzoindole bifunctional molecular derivative and preparation method and application thereof | 中国药科大学 | 2020-12-25 | — | — | CN | disclosed |