Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 16/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.41 |
| ▸ | ITGAL | P20701 | 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 | |
|---|---|---|---|---|
| SCHEMBL16239760 | 0.87 | TACR3 (0.72) | TACR3 | |
| SCHEMBL16239531 | 0.85 | TACR3 (0.57) | TACR3 | |
| SCHEMBL16239680 | 0.82 | TACR3 (0.70) | TACR3 | |
| SCHEMBL16239928 | 0.80 | TACR3 (0.70) | TACR3 | |
| SCHEMBL16240045 | 0.79 | TACR3 (0.69) | TACR3ALDH1A1 | |
| SCHEMBL16239851 | 0.79 | TACR3 (0.70) | TACR3 | |
| SCHEMBL322188 | 0.79 | TACR3 (1.00) | TACR3 | |
| SCHEMBL10026138 | 0.79 | TACR3 (1.00) | TACR3 | |
| SCHEMBL16239590 | 0.78 | TACR3 (0.72) | TACR3ALDH1A1ITGB2ICAM1ITGAL | |
| SCHEMBL16239696 | 0.77 | TACR3 (0.53) | TACR3ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2661432-B1 | PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2014-11-19 | — | — | EP | claimed |