Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 4/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9955265 | 0.91 | HSD17B10 (0.41) | HSD17B10ALDH1A1CYP3A4CYP1A2USP2 | |
| SCHEMBL10289053 | 0.83 | KDM4E (0.50) | HSD17B10ALDH1A1CYP3A4CYP1A2USP2 | |
| SCHEMBL31241102 | 0.83 | CACNA2D1 (0.42) | ALDH1A1USP2MEN1KMT2ACASP3 | |
| SCHEMBL9953325 | 0.77 | HSD17B10 (0.49) | HSD17B10ALDH1A1CYP3A4CYP1A2MEN1 | |
| SCHEMBL9954166 | 0.76 | ALDH1A1 (0.42) | HSD17B10ALDH1A1MEN1TSHRCASP1 | |
| SCHEMBL9954454 | 0.74 | MEN1 (0.41) | HSD17B10ALDH1A1CYP3A4CYP1A2MEN1 | |
| SCHEMBL9954050 | 0.73 | HSD17B10 (0.41) | HSD17B10ALDH1A1CYP3A4CYP1A2USP2 | |
| SCHEMBL9955108 | 0.72 | MEN1 (0.40) | ALDH1A1CYP3A4MEN1KMT2ADPP4 | |
| SCHEMBL9954225 | 0.71 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MEN1KMT2AKDM4E | |
| SCHEMBL9953670 | 0.71 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP1A2MEN1CYP2D6 |
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-2012087938-A1 | QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-06-28 | — | — | WO | disclosed |