Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 14/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9362630 | 1.00 | CCKBR (0.40) | CCKBRALDH1A1MAPTPKMPTGDR2 | |
| SCHEMBL9362251 | 0.98 | CCKBR (0.42) | CCKBRALDH1A1MAPTPKMPTGDR2 | |
| SCHEMBL9367185 | 0.96 | CCKBR (0.44) | CCKBRALDH1A1MAPTPKMPTGDR2 | |
| SCHEMBL9362708 | 0.94 | CCKBR (0.44) | CCKBRALDH1A1MAPTPKMPTGDR2 | |
| SCHEMBL9362676 | 0.91 | CCKBR (0.33) | CCKBRALDH1A1MAPTPKM | |
| SCHEMBL9363000 | 0.91 | CCKBR (0.33) | CCKBRALDH1A1MAPTPKM | |
| SCHEMBL9362327 | 0.90 | CCKBR (0.37) | CCKBRALDH1A1MAPTPKMPTGDR2 | |
| SCHEMBL9361986 | 0.89 | CCKBR (0.37) | CCKBRGRIN2B | |
| SCHEMBL9362255 | 0.89 | GRIN2B (0.37) | CCKBRALDH1A1MAPTPTGDR2GRIN2B | |
| SCHEMBL9365784 | 0.89 | SIGMAR1 (0.35) | CCKBR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5643904-A | Substituted hexahdryoazepinones and tetrahydrobenzazepinones | PFIZER INC. (US) | 1997-07-01 | — | — | US | disclosed |
| US-5484917-A | FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY | PFIZER INC. (US) | 1996-01-16 | — | — | US | disclosed |
| EP-0625145-A1 | 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS | PFIZER INC. (US) | 1994-11-23 | — | — | EP | disclosed |
| WO-1993015059-A1 | 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS | PFIZER INC. (US) | 1993-08-05 | — | — | WO | disclosed |