Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.49 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 0.49 |
| ▸ | HTR2B | P41595 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20047172 | 0.92 | TMEM97 (0.51) | AKR1C3TMEM97SIGMAR1HTR1ADRD4 | |
| SCHEMBL20047027 | 0.91 | PKM (0.51) | AKR1C3PKMAKR1C1PPARGPPARD | |
| SCHEMBL20047032 | 0.85 | KMT2A (0.47) | AKR1C3OPRK1AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL20047028 | 0.83 | SMN1; SMN2 (0.47) | AKR1C3PKMCYP11B1CYP11B2SMN1; SMN2 | |
| SCHEMBL20047031 | 0.83 | AKR1C3 (0.48) | AKR1C3OPRK1AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL20047173 | 0.82 | PKM (0.53) | AKR1C3PKMOPRK1SMN1; SMN2MEN1 | |
| SCHEMBL20047029 | 0.82 | CYP11B1 (0.50) | CYP11B1CYP11B2CYP3A4CYP2C19 | |
| SCHEMBL20047024 | 0.81 | CHRM5 (0.41) | AKR1C3PKMOPRK1AKR1C1SMN1; SMN2 | |
| SCHEMBL20047020 | 0.80 | MEN1 (0.40) | AKR1C3OPRK1AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL22484651 | 0.79 | L3MBTL1 (0.53) | AKR1C3OPRK1MEN1KMT2ANPSR1 |
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 |