Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 8/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR1E | P28566 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4405414 | 0.89 | TMEM97 (0.45) | TMEM97SIGMAR1NR1H2NR1H3HTR1A | |
| SCHEMBL4399041 | 0.89 | TMEM97 (0.45) | TMEM97SIGMAR1HTR1ACHRM5SLC6A2 | |
| SCHEMBL7103546 | 0.84 | TMEM97 (0.42) | TMEM97SIGMAR1HTR1ACHRM5SLC6A2 | |
| SCHEMBL13382410 | 0.81 | TMEM97 (0.46) | TMEM97SIGMAR1PTGDR2MEN1KMT2A | |
| SCHEMBL18767256 | 0.81 | RAB9A (0.43) | TMEM97SIGMAR1HTR1ASLC6A2HRH2 | |
| SCHEMBL23924514 | 0.74 | TMEM97 (0.46) | TMEM97SIGMAR1PTGDR2MEN1KMT2A | |
| SCHEMBL3992432 | 0.74 | ADORA1 (0.37) | CHRM5MEN1KMT2AGAATSHR | |
| SCHEMBL1901800 | 0.73 | MEN1 (0.48) | CHRM5MEN1KMT2ACYP2C19 | |
| SCHEMBL2486254 | 0.73 | MEN1 (0.48) | SIGMAR1CHRM5MEN1KMT2ACYP2C19 | |
| SCHEMBL1081654 | 0.73 | ADORA1 (0.47) | NR1H2MEN1KMT2ANPSR1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1296972-A1 | ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS | Aventis Pharmaceuticals Inc. (US) | 2003-04-02 | — | — | EP | disclosed |
| WO-2001090101-A1 | ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-11-29 | — | — | WO | disclosed |