Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 3/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL18928384 | 0.93 | PDE4A (0.34) | NR1I2PDE4AAKR1C3AKR1C2 | |
| SCHEMBL18928449 | 0.93 | NR1I2 (0.33) | NR1I2PDE4A | |
| SCHEMBL18928421 | 0.91 | HTR4 (0.35) | PDE4AAKR1C3AKR1C2ALDH1A1MAPK1 | |
| SCHEMBL18928355 | 0.91 | NR1I2 (0.36) | NR1I2PDE4ALMNAPOLB | |
| SCHEMBL18928344 | 0.89 | NR1I2 (0.35) | NR1I2PDE4AALDH1A1MAPK1LMNA | |
| SCHEMBL18929018 | 0.89 | PDE4A (0.37) | NR1I2PDE4AALDH1A1 | |
| SCHEMBL18928458 | 0.88 | NR1I2 (0.34) | NR1I2 | |
| SCHEMBL18928331 | 0.86 | NR1I2 (0.36) | NR1I2PDE4A | |
| SCHEMBL18929050 | 0.86 | PDE4A (0.33) | NR1I2PDE4A | |
| SCHEMBL18928394 | 0.84 | NR1I2 (0.33) | NR1I2 |
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-2017093938-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | VIIV HEALTHCARE UK LIMITED (GB) | 2017-06-08 | — | — | WO | disclosed |