Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 3/20 | 0.68 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | TACR1 | P25103 | 2/20 | 0.44 |
| ▸ | CCR5 | P51681 | 14/20 | 0.39 |
| ▸ | UBE2M | P61081 | 3/20 | 0.38 |
| ▸ | DCUN1D1 | Q96GG9 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL297453 | 0.93 | TACR3 (0.77) | TACR3TACR2TACR1CCR5UBE2M | |
| SCHEMBL296656 | 0.93 | TACR3 (0.77) | TACR3TACR2TACR1CCR5UBE2M | |
| SCHEMBL8053227 | 0.88 | TACR3 (0.71) | TACR3TACR2TACR1CCR5UBE2M | |
| SCHEMBL3275834 | 0.87 | TACR3 (0.69) | TACR3TACR2TACR1CCR5UBE2M | |
| SCHEMBL297449 | 0.87 | TACR3 (0.68) | TACR3TACR2TACR1CCR5UBE2M | |
| SCHEMBL296806 | 0.87 | TACR3 (0.68) | TACR3TACR2TACR1CCR5UBE2M | |
| SCHEMBL296859 | 0.87 | TACR3 (0.68) | TACR3TACR2TACR1CCR5UBE2M | |
| SCHEMBL297239 | 0.87 | TACR3 (0.68) | TACR3TACR2TACR1CCR5UBE2M | |
| SCHEMBL3272860 | 0.81 | TACR3 (0.60) | TACR3TACR2TACR1CCR5UBE2M | |
| SCHEMBL296050 | 0.81 | TACR3 (1.00) | TACR3TACR2TACR1CCR5UBE2M |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009033995-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-03-19 | — | — | WO | disclosed |