Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.45 |
| ▸ | PRKCG | P05129 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16184159 | 0.84 | NPC1 (0.44) | ALDH1A1SMN1; SMN2HPGDCYP11B1CYP11B2 | |
| SCHEMBL14359121 | 0.83 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2HPGDCYP11B1CYP11B2 | |
| SCHEMBL20782725 | 0.82 | PDE10A (0.54) | ALDH1A1SMN1; SMN2HPGDCYP11B1CYP11B2 | |
| SCHEMBL16184099 | 0.82 | NPC1 (0.54) | ALDH1A1SMN1; SMN2HPGDCYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL7287195 | 0.81 | PDE10A (0.53) | ALDH1A1SMN1; SMN2HPGDCYP11B1CYP11B2 | |
| SCHEMBL5263213 | 0.80 | DHPS (0.49) | MAPTMEN1KMT2ATUBB4ATUBB | |
| SCHEMBL7294963 | 0.75 | DHPS (0.62) | ALDH1A1SMN1; SMN2HPGDPOLBMAPT | |
| SCHEMBL17554078 | 0.75 | MAPK1 (0.56) | ALDH1A1SMN1; SMN2HPGDCYP11B1CYP11B2 | |
| SCHEMBL1444026 | 0.74 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HPGDCYP11B1CYP11B2 | |
| SCHEMBL2155189 | 0.73 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2HPGDCYP11B1CYP11B2 |
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-2769723-A1 | Compounds for use in inhibiting HIV capsid assembly | Ruprecht-Karls-Universität Heidelberg (DE) | 2014-08-27 | — | — | EP | disclosed |