Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | TPSAB1 | Q15661 | 7/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4404742 | 0.99 | MGLL (0.40) | MGLLTPSAB1KCNH2CYP2C9CYP2C19 | |
| SCHEMBL1380986 | 0.91 | MGLL (0.39) | MGLLTPSAB1KCNH2CYP2C9CYP2C19 | |
| SCHEMBL1381850 | 0.90 | TPSAB1 (0.48) | MGLLTPSAB1KCNH2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4401939 | 0.90 | MGLL (0.38) | MGLLTPSAB1KCNH2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4414526 | 0.90 | TPSAB1 (0.48) | MGLLTPSAB1KCNH2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4404465 | 0.85 | TPSAB1 (0.51) | TPSAB1 | |
| SCHEMBL7025345 | 0.84 | MGLL (0.43) | MGLLTPSAB1EGLN1 | |
| Hydrochloric Acid SCHEMBL4395981 | 0.84 | TPSAB1 (0.41) | MGLLTPSAB1EGLN1 | |
| SCHEMBL7019473 | 0.83 | TPSAB1 (0.41) | TPSAB1KCNH2CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL4403351 | 0.83 | MGLL (0.42) | MGLLTPSAB1EGLN1 |
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 |