Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.49 |
| ▸ | CCKBR | P32239 | 4/20 | 0.48 |
| ▸ | CCKAR | P32238 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8946969 | 0.88 | CCKAR (0.61) | ALDH1A1KMT2AMEN1POLBGFER | |
| SCHEMBL8946837 | 0.88 | CCKBR (0.62) | ALDH1A1KMT2AMEN1POLBGFER | |
| SCHEMBL4075043 | 0.82 | CHRM2 (0.56) | ALDH1A1KMT2AMEN1POLBCHRM2 | |
| SCHEMBL7088452 | 0.80 | CHRM2 (0.58) | ALDH1A1KMT2AMEN1CHRM2CHRM4 | |
| SCHEMBL4075145 | 0.80 | CHRM2 (0.53) | ALDH1A1KMT2AMEN1POLBCHRM2 | |
| SCHEMBL6180507 | 0.79 | CCKAR (0.51) | ALDH1A1KMT2AMEN1POLBGFER | |
| SCHEMBL8691247 | 0.79 | HTT (0.38) | ALDH1A1POLBCCKARMAPT | |
| SCHEMBL4075040 | 0.78 | CHRM2 (0.54) | ALDH1A1KMT2AMEN1POLBCHRM2 | |
| SCHEMBL9042254 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1POLBGFER | |
| SCHEMBL8946822 | 0.76 | CCKBR (0.51) | ALDH1A1KMT2AMEN1POLBGFER |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0728748-B1 | BENZODIAZEPINE DERIVATIVES | SHIONOGI & CO (JP) | 2002-03-06 | — | — | EP | disclosed |
| US-5776929-A | GASTRIN INHIBITOR; GASTROINTESTINAL DISORDERS | SHIONOGI & CO., LTD. (JP) | 1998-07-07 | — | — | US | disclosed |
| EP-0728748-A1 | NOVEL BENZODIAZEPINE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1996-08-28 | — | — | EP | disclosed |