Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.58 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL378386 | 0.92 | TACR1 (0.57) | TACR1CHRM5CHRM3SMN1; SMN2HTT | |
| SCHEMBL378422 | 0.92 | TACR1 (0.56) | TACR1CHRM5CHRM3SMN1; SMN2HTT | |
| SCHEMBL2467338 | 0.89 | CHRM5 (0.74) | TACR1CHRM5CHRM3SMN1; SMN2L3MBTL1 | |
| SCHEMBL476243 | 0.86 | TACR1 (0.71) | TACR1SMN1; SMN2HTTOPRM1HDAC1 | |
| SCHEMBL378420 | 0.85 | TACR1 (0.48) | TACR1CHRM5CHRM3SMN1; SMN2LMNA | |
| SCHEMBL6375805 | 0.84 | SMN1; SMN2 (0.57) | TACR1CHRM5CHRM3SMN1; SMN2HTT | |
| SCHEMBL6543304 | 0.82 | OPRM1 (0.56) | TACR1CHRM5CHRM3SMN1; SMN2HTT | |
| SCHEMBL6623954 | 0.82 | EPHX1 (0.49) | TACR1CYP3A4CYP2C19EPHX1MC4R | |
| SCHEMBL2472385 | 0.81 | OPRM1 (0.54) | TACR1CHRM5CHRM3SMN1; SMN2HTT | |
| SCHEMBL4965067 | 0.81 | PLAAT3 (0.57) | CHRM5CHRM3SMN1; SMN2HTTLMNA |
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 | disclosed |