Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10855944 | 0.80 | GABRA1 (0.50) | GABRA1GABRB2TSHR | |
| SCHEMBL461883 | 0.78 | GABRA1 (0.48) | GABRA1GABRB2TSHR | |
| SCHEMBL3011286 | 0.75 | KDM4E (0.41) | — | |
| SCHEMBL10762626 | 0.73 | GABRA1 (0.43) | GABRA1GABRB2TSHR | |
| SCHEMBL2049372 | 0.71 | ALDH1A1 (0.31) | TSHR | |
| SCHEMBL11770504 | 0.69 | SLC6A2 (0.37) | TSHR | |
| SCHEMBL8761478 | 0.68 | CA1 (0.52) | GABRA1GABRB2TSHR | |
| SCHEMBL7141221 | 0.68 | GABRA1 (0.50) | GABRA1GABRB2TSHR | |
| SCHEMBL11116133 | 0.67 | — | — | |
| SCHEMBL5424032 | 0.67 | — | — |
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 |