Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.42 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18436814 | 1.00 | GAA (0.48) | GAANPC1ALDH1A1SMN1; SMN2AKR1C3 | |
| SCHEMBL19012373 | 0.88 | GAA (0.49) | GAANPC1ALDH1A1SMN1; SMN2AKR1C3 | |
| SCHEMBL19012341 | 0.88 | GAA (0.49) | GAANPC1ALDH1A1SMN1; SMN2AKR1C3 | |
| SCHEMBL21336573 | 0.85 | ALDH1A1 (0.46) | GAANPC1ALDH1A1SMN1; SMN2GFER | |
| SCHEMBL19001050 | 0.84 | EIF2AK4 (0.47) | GAANPC1ALDH1A1SMN1; SMN2AKR1C3 | |
| SCHEMBL19001052 | 0.84 | EIF2AK4 (0.47) | GAANPC1ALDH1A1SMN1; SMN2AKR1C3 | |
| SCHEMBL19012733 | 0.84 | GAA (0.46) | GAANPC1ALDH1A1SMN1; SMN2AKR1C3 | |
| SCHEMBL18436331 | 0.75 | POLB (0.46) | ALDH1A1SMN1; SMN2RECQLSLC6A7CYP3A4 | |
| SCHEMBL21336572 | 0.74 | L3MBTL1 (0.40) | ALDH1A1SMN1; SMN2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL3580720 | 0.74 | HRH3 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3124482-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |