Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9646840 | 0.80 | TRPV3 (0.37) | KDM5BTRPV3ALDH1A1GAAMAOB | |
| SCHEMBL9648726 | 0.80 | GABRG2 (0.33) | ALDH1A1GAAMAOBNPSR1 | |
| SCHEMBL8329144 | 0.79 | MAOB (0.42) | AKR1C3AKR1C2HTR2CMAOBADAM17 | |
| SCHEMBL9649195 | 0.78 | AKR1C3 (0.41) | AKR1C3AKR1C2KDM5BGAAMAOB | |
| SCHEMBL8322022 | 0.77 | CYP1A2 (0.42) | AKR1C3AKR1C2ALDH1A1GAAATM | |
| SCHEMBL9649043 | 0.73 | PTGS2 (0.34) | — | |
| SCHEMBL9649272 | 0.72 | KDM5B (0.31) | KDM5BCYP1A2CYP2C19 | |
| SCHEMBL9650104 | 0.72 | — | — | |
| SCHEMBL15949380 | 0.72 | IKBKB (0.41) | ALDH1A1MAOBCYP1A2NOTUMIDO1 | |
| SCHEMBL9649355 | 0.72 | APP (0.35) | AKR1C3AKR1C2TRPV3CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5120848-A | Anticholesterol and antilipemic agents; hydroxy-3-methylglutaryl/3-/ coenzyme A reductase inhibitors | GLAXO GROUP LIMITED (GB) | 1992-06-09 | — | — | US | disclosed |