Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.34 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | TAF1 | P21675 | 1/20 | 0.30 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16633564 | 0.79 | CCR5 (0.32) | CCR5MEN1ALDH1A1KMT2A | |
| SCHEMBL16822461 | 0.77 | L3MBTL3 (0.38) | L3MBTL3L3MBTL1HTR6 | |
| SCHEMBL16365471 | 0.76 | HTR6 (0.39) | L3MBTL3L3MBTL1KCNH2HTR6 | |
| SCHEMBL3278591 | 0.75 | L3MBTL3 (0.44) | L3MBTL3L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL3278589 | 0.75 | L3MBTL3 (0.44) | L3MBTL3L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL1221378 | 0.75 | — | — | |
| SCHEMBL493685 | 0.74 | DPP4 (0.40) | MEN1KMT2ABCHE | |
| SCHEMBL8282498 | 0.74 | ALDH1A1 (0.45) | L3MBTL1HTR2AHTR2CALDH1A1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5901388 | 0.73 | — | — | |
| SCHEMBL7278291 | 0.73 | BCHE (0.57) | ALDH1A1KDM4EBCHE |
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-1899318-A1 | NEW AZETIDINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES | AstraZeneca AB (SE) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006137791-A1 | NEW AZETIDINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES | ASTRAZENECA AB (SE) | 2006-12-28 | — | — | WO | disclosed |