Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Pumosetrag SCHEMBL1497800 | 0.79 | HTR3A (0.56) | CYP3A4HTR3A | |
| Pumosetrag SCHEMBL7287985 | 0.79 | HTR3A (0.56) | CYP3A4HTR3A | |
| Pumosetrag SCHEMBL1497797 | 0.79 | HTR3A (0.56) | CYP3A4HTR3A | |
| Pumosetrag SCHEMBL9432501 | 0.78 | HTR3A (0.55) | CYP3A4HTR3A | |
| Pumosetrag SCHEMBL9432490 | 0.78 | HTR3A (0.55) | CYP3A4HTR3A | |
| SCHEMBL7279745 | 0.73 | HTR3A (0.47) | CYP3A4HTR3A | |
| SCHEMBL7306105 | 0.71 | CYP3A4 (0.41) | CYP3A4HTR3AALDH1A1 | |
| SCHEMBL7284925 | 0.70 | MEN1 (0.46) | HTR3A | |
| SCHEMBL4543435 | 0.67 | GPR35 (0.41) | ALDH1A1 | |
| SCHEMBL822267 | 0.66 | EGLN1 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0560348-B1 | Thieno 3,2-b pyridine derivatives for the treatment of gastrointestinal disorders | MITSUBISHI CHEM CORP (JP) | 2002-07-10 | — | — | EP | disclosed |
| US-5352685-A | Gastrointestinal disorders | MITSUBISHI KASEI CORPORATION (JP) | 1994-10-04 | — | — | US | disclosed |