Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 3/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 3/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCND2 | P30279 | 1/20 | 0.32 |
| ▸ | CCND3 | P30281 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.31 |
| ▸ | RIPK2 | O43353 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310071 | 0.91 | LCK (0.35) | RETACVR1CCNB2CCNE2CDK1 | |
| SCHEMBL24310038 | 0.88 | TNK2 (0.35) | RETACVR1CCNB2CCNE2CDK1 | |
| SCHEMBL29566496 | 0.84 | NOD2 (0.36) | ACVR1CCNB2CCNE2CDK1CDK4 | |
| SCHEMBL24310104 | 0.84 | NOD2 (0.36) | ACVR1CCNB2CCNE2CDK1CDK4 | |
| SCHEMBL29567089 | 0.75 | HTR6 (0.37) | ACVR1LCKJAK3BTKTNK2 | |
| SCHEMBL24310067 | 0.75 | HTR6 (0.37) | ACVR1LCKJAK3BTKTNK2 | |
| SCHEMBL24310026 | 0.74 | ACVR1 (0.32) | RETACVR1CCNB2CCNE2CDK1 | |
| SCHEMBL24310021 | 0.73 | NOD2 (0.36) | ACVR1LCKJAK3BTKTNK2 | |
| SCHEMBL29566401 | 0.73 | NOD2 (0.36) | ACVR1LCKJAK3BTKTNK2 | |
| SCHEMBL26811442 | 0.73 | NOD2 (0.40) | ACVR1RIPK2NOD2ADRB1 |
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 |