Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.39 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.39 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL6176017 | 0.87 | CCKAR (0.39) | AADATALDH1A1CCKBR | |
| SCHEMBL1394353 | 0.86 | ALDH1A1 (0.48) | ALDH1A1CCKBR | |
| SCHEMBL6176423 | 0.86 | ALDH1A1 (0.48) | ALDH1A1CCKBR | |
| SCHEMBL7962381 | 0.83 | KYAT1 (0.40) | TSHRKYAT1KYAT3AADATALDH1A1 | |
| Oxalic Acid SCHEMBL6825172 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CCKBR | |
| Oxalic Acid SCHEMBL6825177 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CCKBR | |
| SCHEMBL7962689 | 0.81 | BRD4 (0.40) | TSHRALDH1A1CCKBRTP53 | |
| SCHEMBL6177621 | 0.78 | CCKBR (0.49) | CCKBR | |
| SCHEMBL6178095 | 0.75 | MAPT (0.42) | CCKBRMAPT | |
| SCHEMBL6179330 | 0.75 | CCKBR (0.47) | TSHRCCKBRTP53LMNAMAPT |
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 |