Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18426852 | 1.00 | TACR3 (0.43) | TACR3ABCB1GRIN2BCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL5133821 | 0.85 | TACR3 (0.42) | TACR3GRIN2BALDH1A1 | |
| SCHEMBL14865513 | 0.85 | AGTR2 (0.44) | GRIN2B | |
| SCHEMBL16350185 | 0.84 | ABCB1 (0.51) | TACR3ABCB1GRIN2BALDH1A1 | |
| SCHEMBL15043258 | 0.78 | RIPK1 (0.43) | TACR3ABCB1GRIN2BALDH1A1 | |
| SCHEMBL7337581 | 0.77 | ABCB1 (0.50) | TACR3ABCB1GRIN2BALDH1A1 | |
| SCHEMBL24112880 | 0.76 | LMNA (0.45) | — | |
| SCHEMBL25839614 | 0.76 | LMNA (0.45) | — | |
| SCHEMBL25839613 | 0.76 | LMNA (0.45) | — | |
| SCHEMBL8290842 | 0.75 | AGTR2 (0.46) | ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3405477-B1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-06-07 | — | — | EP | disclosed |