Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GSR | P00390 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL148756 | 0.85 | TRPA1 (0.48) | TRPA1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL28884491 | 0.80 | TRPA1 (0.50) | TRPA1GABBR2GABBR1CYP2D6CYP1A2 | |
| Phosphonic Acid SCHEMBL29019105 | 0.79 | GSR (0.44) | TRPA1GABBR2GABBR1CYP2D6CYP1A2 | |
| Boric Acid SCHEMBL21356833 | 0.78 | TRPA1 (0.43) | TRPA1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL28431897 | 0.78 | TRPA1 (0.43) | TRPA1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL7612634 | 0.78 | TRPA1 (0.43) | TRPA1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL7517934 | 0.76 | TRPA1 (0.42) | TRPA1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL502935 | 0.76 | LMNA (0.54) | TRPA1GABBR2GABBR1CYP2D6LMNA | |
| SCHEMBL8037637 | 0.76 | TRPA1 (0.42) | TRPA1GABBR2GABBR1CYP2D6CYP1A2 | |
| SCHEMBL9795823 | 0.76 | TRPA1 (0.42) | TRPA1GABBR2GABBR1CYP2D6CYP1A2 |
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-0861244-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997018201-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-22 | — | — | WO | disclosed |