Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20687493 | 0.86 | SMN1; SMN2 (0.54) | SMN1; SMN2NPSR1KEAP1PKMALDH1A1 | |
| SCHEMBL25604729 | 0.77 | SMN1; SMN2 (0.55) | SMN1; SMN2PKMALDH1A1KMT2ANPC1 | |
| SCHEMBL20783923 | 0.76 | KMT2A (0.41) | SMN1; SMN2NPSR1PKMALDH1A1MEN1 | |
| SCHEMBL30602946 | 0.74 | SMN1; SMN2 (1.00) | SMN1; SMN2NPSR1KEAP1PPARA | |
| SCHEMBL1748171 | 0.74 | SMN1; SMN2 (1.00) | SMN1; SMN2NPSR1KEAP1PPARA | |
| SCHEMBL30240959 | 0.73 | ALDH1A1 (0.48) | SMN1; SMN2PKMALDH1A1KMT2ANPC1 | |
| SCHEMBL19329204 | 0.73 | ALDH1A1 (0.48) | SMN1; SMN2PKMALDH1A1KMT2ANPC1 | |
| SCHEMBL26189769 | 0.72 | CASR (0.35) | ALDH1A1RAB9A | |
| SCHEMBL6662857 | 0.70 | SMN1; SMN2 (0.75) | SMN1; SMN2NPSR1KEAP1PKMALDH1A1 | |
| SCHEMBL9487121 | 0.69 | SMN1; SMN2 (0.54) | SMN1; SMN2NPSR1KEAP1PKMALDH1A1 |
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-2018081612-A1 | COMPOUNDS AND METHODS FOR TREATING CANCER | ACTAVALON, INC. (US) | 2018-05-03 | — | — | WO | disclosed |