Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 9/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.43 |
| ▸ | AR | P10275 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11432548 | 0.85 | ADRB2 (0.46) | HDAC1HDAC2HDAC8ESR1AR | |
| SCHEMBL19122983 | 0.83 | SMN1; SMN2 (0.59) | SMN1; SMN2TDP1ACACBMAPT | |
| SCHEMBL340041 | 0.81 | HDAC1 (0.42) | SMN1; SMN2HDAC1HDAC2HDAC8ACACB | |
| SCHEMBL3720563 | 0.81 | ALDH1A1 (0.48) | ESR1ESR2TDP1TP53ACACB | |
| SCHEMBL31664414 | 0.81 | SMN1; SMN2 (0.45) | SMN1; SMN2TDP1ACACBMAPT | |
| SCHEMBL8301102 | 0.81 | HDAC1 (0.43) | SMN1; SMN2HDAC1HDAC2HDAC8TDP1 | |
| SCHEMBL9856358 | 0.81 | SHBG (0.46) | SMN1; SMN2HDAC1HDAC2HDAC8ESR1 | |
| SCHEMBL9856496 | 0.80 | GAA (0.45) | SMN1; SMN2HDAC1HDAC2HDAC8AR | |
| SCHEMBL24064296 | 0.79 | ESR1 (0.41) | SMN1; SMN2ESR1ESR2ARTDP1 | |
| SCHEMBL31664429 | 0.79 | SMN1; SMN2 (0.44) | SMN1; SMN2HDAC1HDAC2HDAC8TDP1 |
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-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |