Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CACNA2D1 | P54289 | 6/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 6/20 | 0.43 |
| ▸ | CACNB1 | Q02641 | 6/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 5/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL911824 | 0.90 | ALDH1A1 (0.45) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL3234860 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KMT2ANPC1SLC6A9MAPT | |
| SCHEMBL18191942 | 0.83 | SLC6A9 (0.52) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL694215 | 0.80 | MAOB (0.56) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL16099934 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL3232462 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KMT2ANPC1SLC6A9MAPT | |
| SCHEMBL3230011 | 0.77 | MEN1 (0.46) | ALDH1A1KMT2AMAPTUSP2MEN1 | |
| SCHEMBL6840313 | 0.76 | KMT2A (0.44) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL16099153 | 0.75 | KMT2A (0.53) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL5048028 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C |
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-20100069346-A1 | New Azetidine Derivatives as Neurokinin Receptor Antagonists for the Treatment of Gastrointestinal Diseases | ALBIREO AB (SE) | 2010-03-18 | — | — | US | disclosed |
| CN-101203511-A | New azetidine derivatives as neurokinin receptor antagonists for the treatment of gastrointestinal diseases | ASTRAZENECA AB (SE) | 2008-06-18 | — | — | CN | disclosed |
| EP-1899326-A1 | NEW AZETIDINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES | AstraZeneca AB (SE) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006137790-A1 | NEW AZETIDINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES | ASTRAZENECA AB (SE) | 2006-12-28 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100069346-A1 | New Azetidine Derivatives as Neurokinin Receptor Antagonists for the Treatment of Gastrointestinal Diseases | GIPR, HRH2, BDKRB2 | ALDH1A1 2061/4885CACNA2D1 2403/4885CACNA1B 691/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.