Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSPO | P30536 | 4/20 | 0.37 |
| ▸ | CASR | P41180 | 3/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3951648 | 0.91 | TSPO (0.37) | TSPOCASRPDK1TP53 | |
| SCHEMBL3950139 | 0.91 | CASR (0.37) | CASRLMNACYP1A2CYP3A4CCNE2 | |
| SCHEMBL3951753 | 0.82 | CASR (0.37) | CASRMEN1KMT2AKDM4EMAPT | |
| SCHEMBL4036518 | 0.82 | CASR (0.40) | CASRPDK1NPSR1MEN1KMT2A | |
| SCHEMBL3943392 | 0.82 | ITGB1 (0.38) | CASRPDK1 | |
| SCHEMBL3942436 | 0.81 | CASR (0.42) | CASRPDK1KDM4ERXFP1 | |
| SCHEMBL3945206 | 0.81 | CASR (0.37) | CASRPDK1HTTMEN1KMT2A | |
| SCHEMBL3945373 | 0.81 | CASR (0.37) | CASRPDK1MEN1KMT2ATP53 | |
| SCHEMBL3942465 | 0.81 | CASR (0.41) | CASRPDK1PDK2PDK3PDK4 | |
| SCHEMBL3947316 | 0.80 | CASR (0.41) | CASRPDK1PDK2PDK3PDK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1718632-B1 | PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | SANOFI AVENTIS (FR) | 2009-04-22 | — | — | EP | claimed |