Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 4/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | VNN1 | O95497 | 1/20 | 0.31 |
| ▸ | GOT1 | P17174 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.30 |
| ▸ | PPIA | P62937 | 1/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14167085 | 0.89 | CTDSP1 (0.42) | CYP1A2CTDSP1HRH1CHRM1ALDH1A1 | |
| SCHEMBL18854185 | 0.82 | CYP1A2 (0.44) | CYP1A2CTDSP1HRH1CHRM1CYP2C19 | |
| SCHEMBL4171814 | 0.79 | KCNH2 (0.48) | CYP1A2CTDSP1HRH1CHRM1ALDH1A1 | |
| SCHEMBL3079246 | 0.77 | CYP1A2 (0.47) | CYP1A2CTDSP1HRH1CHRM1KCNH2 | |
| SCHEMBL655646 | 0.77 | KCNH2 (0.57) | CYP1A2CTDSP1KCNH2GPR84 | |
| SCHEMBL12089089 | 0.76 | CYP1A2 (0.53) | CYP1A2CTDSP1HRH1CHRM1ALDH1A1 | |
| SCHEMBL18596775 | 0.76 | KCNH2 (0.60) | CYP1A2CTDSP1HRH1KCNH2 | |
| SCHEMBL15573512 | 0.76 | KCNH2 (0.60) | CYP1A2CTDSP1HRH1KCNH2 | |
| SCHEMBL22308558 | 0.76 | KCNH2 (0.60) | CYP1A2CTDSP1HRH1KCNH2 | |
| SCHEMBL22307320 | 0.76 | KCNH2 (0.60) | CYP1A2CTDSP1HRH1KCNH2 |
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 |