Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL23869534 | 0.82 | NR1I2 (0.39) | NR1I2KDM4EALDH1A1GAAMAPT | |
| SCHEMBL29519826 | 0.82 | KDM4E (0.43) | NR1I2KDM4EALDH1A1GAAMAPT | |
| SCHEMBL22100739 | 0.82 | APLNR (0.46) | APLNR | |
| SCHEMBL26546032 | 0.79 | NR1I2 (0.41) | NR1I2KDM4E | |
| SCHEMBL1301336 | 0.79 | NR1I2 (0.38) | NR1I2OPRM1 | |
| SCHEMBL16303848 | 0.78 | NR1I2 (0.36) | NR1I2 | |
| SCHEMBL22630561 | 0.78 | NR1I2 (0.36) | NR1I2 | |
| SCHEMBL19965695 | 0.78 | TSHR (0.41) | NR1I2 | |
| SCHEMBL19965631 | 0.78 | NR1I2 (0.31) | NR1I2 | |
| SCHEMBL30401464 | 0.77 | CYP2C9 (0.39) | ALDH1A1HPGD |
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-2017178515-A1 | PIPERIDINYLALKYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-10-19 | — | — | WO | disclosed |