Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 6/20 | 0.61 |
| ▸ | TACR1 | P25103 | 5/20 | 0.61 |
| ▸ | TACR2 | P21452 | 3/20 | 0.61 |
| ▸ | CCR5 | P51681 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | UBE2M | P61081 | 1/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3277503 | 0.85 | TACR3 (0.65) | TACR3TACR1TACR2CCR5KCNH2 | |
| SCHEMBL3271411 | 0.83 | TACR3 (0.74) | TACR3TACR1TACR2CCR5KCNH2 | |
| SCHEMBL295480 | 0.83 | TACR2 (0.71) | TACR3TACR1TACR2CCR5KCNH2 | |
| SCHEMBL296221 | 0.83 | TACR3 (0.68) | TACR3TACR1TACR2CCR5KCNH2 | |
| SCHEMBL296428 | 0.82 | TACR3 (0.63) | TACR3TACR1TACR2CCR5KCNH2 | |
| SCHEMBL8038456 | 0.82 | TACR3 (0.70) | TACR3TACR1TACR2CCR5KCNH2 | |
| SCHEMBL296384 | 0.82 | TACR3 (0.70) | TACR3TACR1TACR2CCR5KCNH2 | |
| SCHEMBL12906817 | 0.82 | TACR3 (0.70) | TACR3TACR1TACR2CCR5KCNH2 | |
| SCHEMBL296569 | 0.81 | TACR3 (0.68) | TACR3TACR1TACR2CCR5 | |
| SCHEMBL4150668 | 0.81 | TACR3 (0.68) | TACR3TACR1TACR2CCR5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2200982-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009033995-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-03-19 | — | — | WO | disclosed |