Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.37 |
| ▸ | WRN | Q14191 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22585593 | 1.00 | GABBR2 (0.42) | GABBR2GABBR1LMNAKCNH2CYP3A4 | |
| SCHEMBL11682799 | 0.88 | GABBR2 (0.39) | GABBR2GABBR1LMNAKCNH2CYP3A4 | |
| SCHEMBL14709152 | 0.81 | GABBR2 (0.43) | GABBR2GABBR1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL5246292 | 0.81 | GABBR2 (0.43) | GABBR2GABBR1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL5247316 | 0.81 | GABBR2 (0.43) | GABBR2GABBR1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL27911200 | 0.81 | GABBR2 (0.43) | GABBR2GABBR1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL5250926 | 0.81 | GABBR2 (0.43) | GABBR2GABBR1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL17459297 | 0.79 | GABBR2 (0.54) | GABBR2GABBR1LMNAKCNH2CYP3A4 | |
| SCHEMBL20032385 | 0.78 | GABBR2 (0.49) | GABBR2GABBR1KCNH2CYP3A4CYP2D6 | |
| SCHEMBL21722780 | 0.78 | GABBR2 (0.41) | GABBR2GABBR1KCNH2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022079092-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-04-21 | — | — | WO | disclosed |
| WO-2021074197-A1 | THIENOPYRIMIDONES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-04-22 | — | — | WO | disclosed |