Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 3/20 | 0.70 |
| ▸ | CCR5 | P51681 | 13/20 | 0.38 |
| ▸ | TACR1 | P25103 | 3/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL296877 | 0.89 | TACR3 (0.89) | TACR3CCR5TACR1TACR2 | |
| SCHEMBL296050 | 0.83 | TACR3 (1.00) | TACR3CCR5TACR1TACR2KCNH2 | |
| SCHEMBL12906870 | 0.81 | TACR3 (0.81) | TACR3CCR5TACR1TACR2HTR2A | |
| SCHEMBL12906871 | 0.81 | TACR3 (0.81) | TACR3CCR5TACR1TACR2HTR2A | |
| SCHEMBL297436 | 0.81 | TACR3 (0.81) | TACR3CCR5TACR1TACR2HTR2A | |
| SCHEMBL8049953 | 0.80 | TACR3 (0.86) | TACR3TACR1TACR2KCNH2 | |
| SCHEMBL295666 | 0.80 | TACR3 (0.86) | TACR3TACR1TACR2KCNH2 | |
| SCHEMBL297336 | 0.79 | TACR3 (0.81) | TACR3CCR5TACR1TACR2KCNH2 | |
| SCHEMBL13907247 | 0.79 | TACR3 (0.81) | TACR3CCR5TACR1TACR2KCNH2 | |
| SCHEMBL12906866 | 0.79 | TACR3 (0.81) | TACR3CCR5TACR1TACR2KCNH2 |
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 |