Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 3/20 | 0.48 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL9612937 | 0.90 | TNF (0.49) | TNFGRM4CYP17A1CYP1A2MAPK14 | |
| SCHEMBL9612927 | 0.89 | DHODH (0.50) | TNFENPP3ENPP1CYP17A1CYP1A2 | |
| SCHEMBL18174564 | 0.88 | GRM4 (0.49) | TNFGRM4CYP17A1CYP1A2MAPK14 | |
| SCHEMBL18174776 | 0.87 | GRM4 (0.43) | TNFGRM4CYP17A1CYP1A2MAPK14 | |
| SCHEMBL18174758 | 0.86 | GRM4 (0.43) | TNFGRM4CYP17A1CYP1A2MAPK14 | |
| SCHEMBL1102779 | 0.84 | TNF (0.59) | TNFENPP3ENPP1CYP1A2DHFR | |
| SCHEMBL15161039 | 0.84 | GRM4 (0.46) | GRM4CYP17A1CYP1A2MAPK14DHODH | |
| SCHEMBL10032613 | 0.83 | CYP11B1 (0.45) | GRM4CYP17A1CYP1A2MAPK11MAPK14 | |
| SCHEMBL1102976 | 0.83 | TNF (0.48) | TNFENPP3ENPP1DHFRMAPK11 | |
| SCHEMBL18174759 | 0.83 | CYP17A1 (0.46) | GRM4CYP17A1CYP1A2DHODHS1PR1 |
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-2012070535-A1 | ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-31 | — | — | WO | disclosed |