Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20047231 | 0.91 | AKR1C3 (0.47) | AKR1C3AKR1C1DRD2DRD3HTR2A | |
| SCHEMBL20047031 | 0.91 | AKR1C3 (0.48) | AKR1C3AKR1C1MEN1KMT2AHSD17B3 | |
| SCHEMBL20047024 | 0.85 | CHRM5 (0.41) | AKR1C3AKR1C1MEN1KMT2AESR2 | |
| SCHEMBL20047027 | 0.84 | PKM (0.51) | AKR1C3AKR1C1MEN1KMT2AUSP30 | |
| SCHEMBL20047232 | 0.82 | AKR1C3 (0.49) | AKR1C3AKR1C1MEN1KMT2AHSD17B3 | |
| SCHEMBL20047020 | 0.82 | MEN1 (0.40) | AKR1C3AKR1C1MEN1KMT2AESR2 | |
| SCHEMBL20047019 | 0.81 | MEN1 (0.40) | AKR1C3AKR1C1MEN1KMT2AESR2 | |
| SCHEMBL20047032 | 0.81 | KMT2A (0.47) | AKR1C3AKR1C1MEN1KMT2AMAPT | |
| SCHEMBL20047023 | 0.79 | AKR1C3 (0.49) | AKR1C3AKR1C1DRD3HTR2CMEN1 | |
| SCHEMBL20047029 | 0.79 | CYP11B1 (0.50) | CYP11B1CYP11B2 |
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 |