Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 4/20 | 0.42 |
| ▸ | TACR2 | P21452 | 3/20 | 0.41 |
| ▸ | TACR1 | P25103 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | CCR3 | P51677 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | F2R | P25116 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL296022 | 0.94 | TACR3 (0.43) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL296032 | 0.92 | TACR3 (0.46) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL297584 | 0.91 | TACR3 (0.43) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL296164 | 0.90 | PDE5A (0.42) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL298428 | 0.90 | TACR3 (0.45) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL298155 | 0.89 | DDR1 (0.43) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL297799 | 0.89 | TACR3 (0.49) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL299660 | 0.88 | TACR3 (0.44) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL12943002 | 0.87 | TACR3 (0.40) | TACR3TACR2TACR1SIGMAR1P2RX7 | |
| SCHEMBL12943003 | 0.85 | CCR2 (0.39) | 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 |