Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.43 |
| ▸ | KIF18A | Q8NI77 | 5/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30611680 | 1.00 | ABL1 (0.43) | ABL1KIF18AP2RY12IRAK4ACACB | |
| SCHEMBL30611688 | 1.00 | ABL1 (0.43) | ABL1KIF18AP2RY12IRAK4ACACB | |
| SCHEMBL22116414 | 1.00 | ABL1 (0.43) | ABL1KIF18AP2RY12IRAK4ACACB | |
| SCHEMBL22116413 | 0.92 | HPGD (0.39) | ABL1KIF18AP2RY12ACACBCTSS | |
| SCHEMBL22116343 | 0.84 | ACACB (0.46) | KIF18AACACB | |
| SCHEMBL22116346 | 0.82 | KIF18A (0.50) | KIF18A | |
| SCHEMBL30611713 | 0.81 | PTGER4 (0.42) | KIF18APDE10AHSD11B1CYP3A4CYP2C19 | |
| SCHEMBL30611682 | 0.81 | ATR (0.34) | ACACBHPGDSTSCYP1A2CYP3A4 | |
| SCHEMBL22116332 | 0.80 | HSD11B1 (0.44) | KIF18AACACBHPGDSTSHSD11B1 | |
| SCHEMBL30611785 | 0.79 | HSD11B1 (0.48) | KIF18AACACBHPGDSTSHSD11B1 |
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-3897832-A1 | N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE | Novartis AG (CH) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020128768-A1 | N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE | NOVARTIS AG (CH) | 2020-06-25 | — | — | WO | disclosed |