Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | ABCB4 | P21439 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3721822 | 0.97 | ADRB3 (0.40) | ADRB3SLC6A2SLC6A4IDO1TACR3 | |
| SCHEMBL3721825 | 0.88 | ADRB3 (0.39) | ADRB3SLC6A2SLC6A4IDO1TACR3 | |
| SCHEMBL7908350 | 0.87 | HSD11B1 (0.46) | SLC6A4HSD11B1TACR1PTPN1OPRL1 | |
| SCHEMBL13092251 | 0.85 | BDKRB1 (0.40) | ADRB3SLC6A2SLC6A4IDO1TACR3 | |
| SCHEMBL396983 | 0.84 | TACR1 (0.40) | ADRB3SLC6A2SLC6A4TACR3CYP2C9 | |
| SCHEMBL379339 | 0.83 | TSHR (0.42) | ADRB3SLC6A2SLC6A4TACR3NPY2R | |
| SCHEMBL378186 | 0.83 | TACR3 (0.46) | IDO1TACR3CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL437707 | 0.83 | HSD11B1 (0.41) | SLC6A4HSD11B1TACR1PTPN1OPRL1 | |
| SCHEMBL378669 | 0.82 | TACR1 (0.41) | SLC6A4TACR3CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL13092448 | 0.81 | IDO1 (0.39) | ADRB3SLC6A2SLC6A4IDO1TACR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2408745-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-01-25 | — | — | EP | claimed |