Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14444866 | 0.95 | CYP1A2 (0.45) | CYP1A2PDE10ATLR8TRPV1PDGFRB | |
| SCHEMBL11597016 | 0.83 | CYP1A2 (0.50) | CYP1A2PDE10ATRPV1PDGFRBPDGFRA | |
| SCHEMBL6114503 | 0.82 | PDE10A (0.60) | CYP1A2PDE10ATLR8TRPV1PDGFRB | |
| SCHEMBL3396692 | 0.81 | CYP1A2 (0.55) | CYP1A2PDE10APDGFRBPDGFRAKDM1A | |
| SCHEMBL859430 | 0.81 | TRPV1 (0.56) | CYP1A2PDE10ATLR8TRPV1MEN1 | |
| SCHEMBL6614214 | 0.80 | PDGFRB (0.50) | CYP1A2PDE10ATRPV1PDGFRBPDGFRA | |
| SCHEMBL826949 | 0.80 | PDE10A (0.55) | CYP1A2PDE10ATLR8PDGFRBPDGFRA | |
| SCHEMBL6290219 | 0.80 | KCNH2 (0.48) | PDE10AGRIN2DGRIN2AGRIN2BGRIN2C | |
| SCHEMBL6114625 | 0.79 | TRPV1 (0.58) | CYP1A2PDE10ATLR8TRPV1MEN1 | |
| SCHEMBL6114605 | 0.79 | TRPV1 (0.58) | CYP1A2PDE10ATLR8TRPV1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180154332-A1 | HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY | WATERS TECHNOLOGIES CORPORATION | 2018-06-07 | — | — | US | disclosed |