Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 4/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 8/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| SCHEMBL21575586 | 1.00 | THRB (0.50) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL11946979 | 0.98 | MAOA (0.49) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL21575599 | 0.91 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL21575598 | 0.91 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL11569857 | 0.91 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL11567371 | 0.91 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL10529806 | 0.85 | SLC2A1 (0.58) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL10530425 | 0.85 | SLC2A1 (0.58) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL10528123 | 0.85 | SLC2A1 (0.58) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL10533726 | 0.85 | SLC2A1 (0.58) | THRBTHRAMAOAMAOBPLK1 |
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-2019219696-A1 | METHOD FOR PRODUCING 2,5-DI(ALKYLTHIO)-α,α'-DIBROMO-P-XYLENES AND USE OF SAID 2,5-DI(ALKYLTHIO)-α,α'-DIBROMO-P-XYLENES TO PRODUCE ALKYLTHIO-SUBSTITUTED POLY(P-PHENYLENE VINYLENE) POLYMERS | TECHNISCHE UNIVERSITÄT WIEN (AT) | 2019-11-21 | — | — | WO | disclosed |