Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLA1 | P09884 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | CDC42 | P60953 | 1/20 | 0.40 |
| ▸ | RAC1 | P63000 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12930797 | 0.90 | POLA1 (0.43) | POLA1SIGMAR1KDM1ATSHRCYP2C19 | |
| SCHEMBL12961189 | 0.85 | SIGMAR1 (0.41) | POLA1SIGMAR1KDM1ATSHRCYP2C19 | |
| SCHEMBL11286184 | 0.79 | KDM1A (0.42) | KDM1A | |
| SCHEMBL5396757 | 0.78 | POLA1 (0.52) | POLA1SIGMAR1KDM1A | |
| SCHEMBL7967461 | 0.78 | POLA1 (0.52) | POLA1SIGMAR1KDM1A | |
| SCHEMBL6580889 | 0.75 | POLA1 (0.55) | POLA1SIGMAR1KDM1ATSHRCYP2C19 | |
| SCHEMBL29587519 | 0.74 | POLA1 (0.51) | POLA1SIGMAR1KDM1ATSHRCYP2C19 | |
| SCHEMBL4984411 | 0.74 | POLA1 (0.51) | POLA1SIGMAR1KDM1ATSHRCYP2C19 | |
| SCHEMBL7366006 | 0.74 | POLA1 (0.45) | POLA1SIGMAR1KDM1ATSHRCYP2C19 | |
| SCHEMBL1846867 | 0.74 | POLA1 (0.51) | POLA1SIGMAR1KDM1ACYP2C19 |
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-3130590-A1 | AROMATIC AZA COMPOUNDS AS VR1/TRPV1 LIGANDS | Grünenthal GmbH (DE) | 2017-02-15 | — | — | EP | disclosed |