Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 17/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | TACR3 | P29371 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL5136246 | 0.94 | TACR2 (0.40) | TACR2TACR1TACR3 | |
| SCHEMBL4410645 | 0.94 | TACR2 (0.42) | TACR2TACR1TACR3 | |
| SCHEMBL5016399 | 0.93 | TACR2 (0.41) | TACR2TACR1TACR3 | |
| SCHEMBL5013763 | 0.93 | TACR2 (0.41) | TACR2TACR1TACR3 | |
| SCHEMBL5137198 | 0.93 | TACR2 (0.38) | TACR2TACR1TACR3 | |
| SCHEMBL5137197 | 0.93 | TACR2 (0.38) | TACR2TACR1TACR3 | |
| SCHEMBL5137070 | 0.92 | TACR2 (0.39) | TACR2TACR1TACR3PDPK1 | |
| Acetic Acid SCHEMBL4271112 | 0.91 | TACR2 (0.41) | TACR2TACR1TACR3 | |
| SCHEMBL4271116 | 0.90 | TACR2 (0.39) | TACR2TACR1TACR3 | |
| SCHEMBL4255036 | 0.90 | TACR2 (0.50) | TACR2TACR1TACR3 |
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 |