Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30588641 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHRCCNB2CDK1CCNB1 | |
| SCHEMBL11400831 | 0.81 | CCNB2 (0.51) | TSHRCCNB2CDK1CCNB1CDK5 | |
| SCHEMBL890085 | 0.81 | TSHR (0.35) | TSHRCCNB2CDK1CCNB1CDK5 | |
| SCHEMBL21885846 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL26124614 | 0.76 | TSHR (0.35) | TSHRCCNB2CDK1CCNB1CDK5 | |
| SCHEMBL26126507 | 0.76 | IKBKB (0.33) | TSHRCCNB2CDK1CCNB1CDK5 | |
| SCHEMBL12938133 | 0.75 | TSHR (0.36) | TSHRDHFRSLC2A1 | |
| SCHEMBL10147745 | 0.74 | IKBKB (0.32) | TSHRCCNB2CDK1CCNB1CDK5 | |
| SCHEMBL26126300 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL26122850 | 0.72 | MAPK1 (0.40) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023196429-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-12 | — | — | WO | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |