Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 9/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.32 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.31 |
| ▸ | JAK2 | O60674 | 2/20 | 0.31 |
| ▸ | JAK3 | P52333 | 2/20 | 0.31 |
| ▸ | BLK | P51451 | 1/20 | 0.31 |
| ▸ | BMX | P51813 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.30 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.30 |
| ▸ | CDK2 | P24941 | 2/20 | 0.30 |
| ▸ | CDK9 | P50750 | 2/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
| ▸ | CDK7 | P50613 | 1/20 | 0.30 |
| ▸ | CCNH | P51946 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310186 | 0.93 | CTSC (0.35) | CTSCEGFRIGF1RHRH4MAP4K1 | |
| SCHEMBL24310531 | 0.92 | CTSC (0.32) | CTSCIGF1RMAP4K1TACR1 | |
| SCHEMBL24310094 | 0.89 | CTSC (0.39) | CTSCEGFRIGF1RHRH4MAP4K1 | |
| SCHEMBL24310068 | 0.87 | EGFR (0.35) | CTSCEGFRIGF1RHRH4MAP4K1 | |
| SCHEMBL24309589 | 0.85 | EGFR (0.34) | CTSCEGFRIGF1RHRH4MAP4K1 | |
| SCHEMBL24310092 | 0.84 | MAP4K1 (0.31) | MAP4K1 | |
| SCHEMBL29566715 | 0.83 | HTR1A (0.38) | CTSCEGFRIGF1RTACR1TNK2 | |
| SCHEMBL24310777 | 0.83 | HTR1A (0.38) | CTSCEGFRIGF1RTACR1TNK2 | |
| SCHEMBL24310535 | 0.81 | PTK2 (0.31) | PTK2 | |
| SCHEMBL24309552 | 0.81 | MAPK7 (0.32) | TNK2PTK2 |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |