Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TRPM5 | Q9NZQ8 | 3/20 | 0.39 |
| ▸ | TRPM4 | Q8TD43 | 2/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28907669 | 0.91 | CYP1A2 (0.46) | HRH3CYP1A2TRPM5TRPM4S100A4 | |
| SCHEMBL18385998 | 0.83 | HTR2A (0.50) | HRH3HTR2ACYP1A2GPR3TDO2 | |
| SCHEMBL29639019 | 0.82 | HTR2A (0.58) | HRH3HTR2ACYP1A2GPR3TDO2 | |
| SCHEMBL261028 | 0.82 | HTR2A (0.58) | HRH3HTR2ACYP1A2GPR3TDO2 | |
| SCHEMBL14480584 | 0.79 | HRH3 (0.46) | HRH3HTR2ACYP1A2EDNRBEDNRA | |
| SCHEMBL9449414 | 0.79 | HRH3 (0.46) | HRH3HTR2ACYP1A2TRPM5KDM4E | |
| SCHEMBL1230997 | 0.79 | HTR2A (0.47) | HRH3HTR2AS100A4HTTKDM4E | |
| SCHEMBL29844647 | 0.79 | HTR2A (0.47) | HRH3HTR2AS100A4HTTKDM4E | |
| SCHEMBL24440192 | 0.76 | HRH3 (0.44) | HRH3HTR2ACYP1A2TDO2ACLY | |
| SCHEMBL28088125 | 0.76 | CNR2 (0.46) | HTR2AACLY |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112358399-B | Reagent for separating amine-containing compounds and application thereof | 苏州金顶生物有限公司 | 2021-04-23 | — | — | CN | disclosed |
| CN-112358399-A | Reagent for separating amine-containing compounds and application thereof | 苏州金顶生物有限公司 | 2021-02-12 | — | — | CN | disclosed |