Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 8/20 | 0.43 |
| ▸ | GRM5 | P41594 | 7/20 | 0.43 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.41 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.40 |
| ▸ | LIPC | P11150 | 1/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30582088 | 1.00 | TLR7 (0.50) | TLR7NAMPTPDK4GRM1GRM5 | |
| SCHEMBL24319593 | 0.85 | TLR7 (0.52) | TLR7NAMPTPDK4GRM1GRM5 | |
| SCHEMBL578028 | 0.81 | NAMPT (0.60) | NAMPTPDK4GRM1GRM5CDK7 | |
| SCHEMBL29707399 | 0.81 | TLR7 (0.53) | TLR7NAMPTPDK4GRM1GRM5 | |
| SCHEMBL30722230 | 0.81 | NAMPT (0.53) | TLR7NAMPTPDK4GRM1GRM5 | |
| SCHEMBL1198658 | 0.81 | NAMPT (0.53) | TLR7NAMPTPDK4GRM1GRM5 | |
| SCHEMBL25378040 | 0.80 | PDK4 (0.48) | NAMPTPDK4GRM1GRM5CDK7 | |
| SCHEMBL30582019 | 0.80 | PDK4 (0.48) | NAMPTPDK4GRM1GRM5CDK7 | |
| SCHEMBL14990423 | 0.80 | NAMPT (0.57) | NAMPTPDK4GRM1GRM5CDK7 | |
| SCHEMBL31174297 | 0.79 | NAMPT (0.56) | TLR7NAMPTPDK4GRM1GRM5 |
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-2023161317-A1 | 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS | LES LABORATOIRES SERVIER (FR) | 2023-08-31 | — | — | WO | disclosed |