Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | TACR1 | P25103 | 14/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | TACR3 | P29371 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL8840276 | 0.98 | CCR5 (0.46) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL8991942 | 0.93 | TACR1 (0.53) | TACR1TACR2TACR3 | |
| Water SCHEMBL8840295 | 0.91 | TACR1 (0.52) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL8991937 | 0.91 | TACR1 (0.48) | TACR1TACR2TACR3 | |
| Water SCHEMBL8840361 | 0.90 | TACR1 (0.47) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL8992082 | 0.88 | TACR1 (0.52) | CCR5TACR1TACR2TACR3 | |
| Hydrochloric Acid SCHEMBL7751880 | 0.87 | TACR1 (0.39) | CCR5TACR1TACR2TACR3 | |
| Hydrochloric Acid SCHEMBL8840285 | 0.87 | TACR1 (0.51) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL4630773 | 0.85 | TACR1 (0.38) | TACR1TACR2TACR3 | |
| Water SCHEMBL7749169 | 0.83 | TACR1 (0.37) | CCR5TACR1TACR2TACR3 |
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-1101757-A1 | Heterocyclic compounds as tachykinin receptor antagonists | SANOFI-SYNTHELABO (FR) | 2001-05-23 | — | — | EP | disclosed |
| EP-0723959-A1 | Heterocyclic compounds as tachykinin receptor antagonists, process for their preparation and pharmaceuticals containing them | SANOFI (FR) | 1996-07-31 | — | — | EP | disclosed |