Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 4/20 | 0.52 |
| ▸ | TACR2 | P21452 | 3/20 | 0.52 |
| ▸ | TACR1 | P25103 | 3/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL296428 | 0.92 | TACR3 (0.63) | TACR3TACR2TACR1HRH3KCNH2 | |
| SCHEMBL296399 | 0.87 | TACR3 (0.48) | TACR3TACR2TACR1HRH3KCNH2 | |
| SCHEMBL296022 | 0.84 | TACR3 (0.43) | TACR3TACR2TACR1HRH3KCNH2 | |
| SCHEMBL296366 | 0.83 | TACR3 (0.68) | TACR3TACR2TACR1HRH3KCNH2 | |
| SCHEMBL296750 | 0.83 | TACR3 (0.51) | TACR3TACR2TACR1HRH3KCNH2 | |
| SCHEMBL296965 | 0.82 | TACR2 (0.61) | TACR3TACR2TACR1HRH3KCNH2 | |
| SCHEMBL3639350 | 0.82 | ENPP2 (0.45) | TACR3TACR2TACR1HRH3KCNH2 | |
| SCHEMBL297584 | 0.80 | TACR3 (0.43) | TACR3TACR2TACR1HRH3KCNH2 | |
| SCHEMBL3272281 | 0.80 | TACR3 (0.77) | TACR3TACR2TACR1HRH3KCNH2 | |
| SCHEMBL296032 | 0.80 | TACR3 (0.46) | TACR3TACR2TACR1KCNH2CACNA1I |
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 |