Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL20047169 | 0.92 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP3A4CYP2C19NPSR1PKM | |
| SCHEMBL20047030 | 0.86 | KMT2A (0.51) | MEN1KMT2APTPRCPTPN1AKR1C3 | |
| SCHEMBL20047027 | 0.83 | PKM (0.51) | SMN1; SMN2CYP3A4CYP2C19NPSR1PKM | |
| SCHEMBL20047023 | 0.83 | AKR1C3 (0.49) | SMN1; SMN2CYP3A4CYP2C19NPSR1PKM | |
| SCHEMBL20047022 | 0.79 | MEN1 (0.43) | SMN1; SMN2CYP3A4CYP2C19NPSR1MEN1 | |
| SCHEMBL20047032 | 0.78 | KMT2A (0.47) | MEN1KMT2AAKR1C3LMNAPOLB | |
| SCHEMBL20047024 | 0.78 | CHRM5 (0.41) | SMN1; SMN2NPSR1PKMALDH1A1MEN1 | |
| SCHEMBL20047020 | 0.77 | MEN1 (0.40) | NPSR1MEN1KMT2AAKR1C3LMNA | |
| SCHEMBL20047171 | 0.77 | KMT2A (0.50) | NPSR1MEN1KMT2AAKR1C3LMNA | |
| SCHEMBL20047029 | 0.77 | CYP11B1 (0.50) | CYP3A4CYP2C19CYP11B1CYP11B2 |
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-2017223514-A9 | LXR INVERSE AGONISTS FOR TREATMENT OF CANCER | SAINT LOUIS UNIVERSITY (US) | 2018-04-12 | — | — | WO | disclosed |