Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | TTR | P02766 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | RBP4 | P02753 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27647544 | 0.98 | AKR1C3 (0.53) | AKR1C3TTRHSD11B1KEAP1HTR1A | |
| SCHEMBL23211918 | 0.96 | AKR1C3 (0.54) | AKR1C3TTRHSD11B1KEAP1HTR1A | |
| SCHEMBL30407607 | 0.96 | AKR1C3 (0.54) | AKR1C3TTRHSD11B1KEAP1HTR1A | |
| SCHEMBL4064652 | 0.84 | AKR1C3 (0.51) | AKR1C3TTRHSD11B1HTR1ATRPV1 | |
| Tert-Butyl Formate SCHEMBL27869235 | 0.83 | HSD11B1 (0.47) | AKR1C3TTRHSD11B1KEAP1HTR1A | |
| SCHEMBL7624363 | 0.82 | ADRA2C (0.55) | AKR1C3TTRHSD11B1HTR1ATRPV1 | |
| SCHEMBL231778 | 0.82 | EPHX2 (0.61) | AKR1C3HTR1AALDH1A1LMNACYP1A2 | |
| SCHEMBL20752166 | 0.82 | AKR1C3 (0.70) | AKR1C3TTRHSD11B1HTR1ANOTUM | |
| SCHEMBL2299021 | 0.82 | AKR1C3 (0.50) | AKR1C3TTRHSD11B1HTR1ATRPV1 | |
| SCHEMBL31096264 | 0.82 | ADRA2C (0.55) | AKR1C3TTRHSD11B1HTR1ATRPV1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020229968-A1 | NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF | ALECTOS THERAPEUTICS INC. (CA) | 2020-11-19 | — | — | WO | disclosed |
| CN-109496213-A | Spiro-compound and its preparation and application | 阿比德治疗公司 | 2019-03-19 | — | — | CN | disclosed |