Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | AADAT | Q8N5Z0 | 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 | |
|---|---|---|---|---|
| SCHEMBL6176470 | 0.89 | TSHR (0.42) | TSHRCYP3A4MAPTLMNACYP2C19 | |
| SCHEMBL6176995 | 0.85 | TSHR (0.40) | TSHRCYP3A4MAPTLMNACYP2C19 | |
| SCHEMBL6177133 | 0.83 | TSHR (0.41) | TSHRCYP3A4MAPTLMNACYP2C19 | |
| SCHEMBL6179596 | 0.83 | TSHR (0.39) | TSHRCYP3A4MAPTLMNACYP2C19 | |
| SCHEMBL7959036 | 0.83 | TSHR (0.38) | TSHRCYP3A4MAPTLMNACYP2C19 | |
| SCHEMBL6180213 | 0.83 | TSHR (0.38) | TSHRCYP3A4MAPTLMNACYP2C19 | |
| SCHEMBL7950861 | 0.82 | CCKBR (0.37) | TSHRCYP3A4MAPT | |
| SCHEMBL7961449 | 0.81 | HTT (0.43) | TSHRCYP3A4MAPTLMNAALDH1A1 | |
| SCHEMBL6176322 | 0.81 | TSHR (0.43) | TSHRCYP3A4MAPTLMNACYP2C19 | |
| SCHEMBL6177988 | 0.81 | ADORA3 (0.41) | TSHRCYP3A4MAPTLMNACYP2C19 |
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 |