Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | G6PD | P11413 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13473 | 0.84 | TAAR1 (0.50) | TAAR1KCNH2RORCALDH1A1HSD17B10 | |
| SCHEMBL13471 | 0.76 | KCNH2 (0.44) | KCNH2OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL2462689 | 0.72 | TDP1 (0.67) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL739399 | 0.72 | TDP1 (0.67) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| Hydrogen Sulfide SCHEMBL27986656 | 0.70 | TDP1 (0.63) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| Water SCHEMBL27986199 | 0.70 | TDP1 (0.63) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL3647973 | 0.67 | CHRNA1 (0.48) | KCNH2OPRD1HSD11B1ALDH1A1MAPK1 | |
| SCHEMBL11309365 | 0.67 | CA4 (0.48) | TDP1CYP3A4ESR1ESR2MAPK1 | |
| SCHEMBL13351707 | 0.67 | KCNH2 (0.47) | TDP1KCNH2 | |
| SCHEMBL5211296 | 0.66 | TAAR1 (0.43) | TAAR1ALDH1A1HSD17B10 |
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-1768975-A2 | PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS | Pfizer Products Inc. (US) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006000912-A2 | PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS | PFIZER PRODUCTS INC. (US) | 2006-01-05 | — | — | WO | disclosed |