Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 2/20 | 0.34 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | SHMT1 | P34896 | 2/20 | 0.32 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | BMX | P51813 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18015356 | 0.81 | PIM1 (0.37) | SHMT1PIM1 | |
| SCHEMBL20007192 | 0.81 | ENPP3 (0.36) | ENPP1ENPP3SERPINE1 | |
| SCHEMBL21721907 | 0.80 | MEN1 (0.38) | — | |
| SCHEMBL19933734 | 0.80 | CYP11B1 (0.41) | ENPP1ENPP3CYP11B1CYP11B2CYP2C19 | |
| SCHEMBL19833338 | 0.79 | SHMT1 (0.38) | SHMT1SHMT2PIM1 | |
| SCHEMBL19933668 | 0.79 | TRPV1 (0.41) | — | |
| SCHEMBL18015301 | 0.75 | NPC1 (0.44) | — | |
| SCHEMBL19794405 | 0.75 | NPC1 (0.40) | — | |
| SCHEMBL23018862 | 0.75 | FAAH (0.37) | — | |
| SCHEMBL19833696 | 0.75 | HPGDS (0.35) | — |
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-2018041769-A1 | BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2018-03-08 | — | — | WO | disclosed |