Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPR | P35270 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | HTR1D | P28221 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HTR7 | P34969 | 1/20 | 0.57 |
| ▸ | HTR3A | P46098 | 1/20 | 0.57 |
| ▸ | HTR6 | P50406 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.56 |
| ▸ | RAD52 | P43351 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6222629 | 0.87 | GAA (0.63) | SPRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL853772 | 0.86 | SPR (0.65) | SPRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30604527 | 0.84 | AKR1C2 (0.78) | CYP1A2CYP3A4CYP2D6CYP2C9HTR1D | |
| SCHEMBL6825151 | 0.84 | AKR1C2 (0.78) | CYP1A2CYP3A4CYP2D6CYP2C9HTR1D | |
| SCHEMBL1757929 | 0.84 | AKR1C2 (0.54) | HTR7HTR6AKR1C2GAAMAPT | |
| SCHEMBL3005298 | 0.84 | AKR1C2 (0.54) | SPRAKR1C2GAAMAPTKDM4E | |
| SCHEMBL2003333 | 0.84 | KDM4E (0.75) | SPRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8529584 | 0.83 | PTPN5 (0.62) | HSD17B10TDP1AKR1C2GAAMAPT | |
| SCHEMBL27380744 | 0.82 | HTR7 (0.64) | SPRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8298627 | 0.81 | AKR1C2 (0.61) | HTR1DHTR6HSD17B10AKR1C2GAA |
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-2004089915-A1 | PIPERAZINE DERIVATIVE RENIN INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-10-21 | — | — | WO | disclosed |