Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CCKBR | P32239 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7962064 | 0.93 | CCKBR (0.36) | ALDH1A1TSHRCCKBRTP53MAPT | |
| SCHEMBL6177954 | 0.92 | TP53 (0.38) | ALDH1A1TSHRCCKBRMAPK1TP53 | |
| SCHEMBL6177683 | 0.91 | CCKBR (0.36) | ALDH1A1TSHRCCKBRTP53CYP1A2 | |
| SCHEMBL6180722 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TSHRMAPK1TP53MAPT | |
| SCHEMBL6176477 | 0.80 | MEN1 (0.40) | ALDH1A1TSHRCCKBRMAPK1TP53 | |
| SCHEMBL6178050 | 0.80 | CCKBR (0.50) | CCKBR | |
| SCHEMBL7959374 | 0.80 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPK1TP53MAPT | |
| SCHEMBL6177504 | 0.80 | CCKBR (0.39) | TSHRCCKBRMAPT | |
| SCHEMBL6176679 | 0.79 | CCKBR (0.46) | TSHRCCKBRMAPT | |
| SCHEMBL6177392 | 0.78 | CCKBR (0.39) | TSHRCCKBRMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6239131-B1 | WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-29 | — | — | US | disclosed |