Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL20047173 | 0.91 | PKM (0.53) | PKMAKR1C3PDE4BPDE4DLMNA | |
| SCHEMBL20047023 | 0.91 | AKR1C3 (0.49) | PKMAKR1C3ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL20047024 | 0.86 | CHRM5 (0.41) | PKMAKR1C3LMNAALDH1A1ESR1 | |
| SCHEMBL20047021 | 0.84 | AKR1C3 (0.45) | AKR1C3LMNAKDM4EESR1ESR2 | |
| SCHEMBL20047028 | 0.83 | SMN1; SMN2 (0.47) | PKMAKR1C3PDE4BPDE4DLMNA | |
| SCHEMBL20047020 | 0.83 | MEN1 (0.40) | AKR1C3LMNAESR1ESR2MEN1 | |
| SCHEMBL20047019 | 0.82 | MEN1 (0.40) | AKR1C3LMNAESR1ESR2MEN1 | |
| SCHEMBL20047032 | 0.82 | KMT2A (0.47) | AKR1C3LMNAESR1ESR2MEN1 | |
| SCHEMBL20047172 | 0.82 | TMEM97 (0.51) | PKMAKR1C3LMNASMN1; SMN2MEN1 | |
| SCHEMBL20047029 | 0.80 | CYP11B1 (0.50) | CYP3A4CYP2C19 |
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 |