Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.34 |
| ▸ | HTR3B | O95264 | 2/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.33 |
| ▸ | CETP | P11597 | 2/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309498 | 0.85 | ACVR1 (0.32) | LTA4HHTR3EHTR3BADRB1HTR3A | |
| SCHEMBL24310026 | 0.85 | ACVR1 (0.32) | LTA4HHTR3EHTR3BADRB1HTR3A | |
| SCHEMBL24310025 | 0.83 | TNK2 (0.35) | LTA4HACVR1RETCCNB2CCNE2 | |
| SCHEMBL24310046 | 0.83 | LTA4H (0.34) | LTA4HACVR1CDK1CDK4CCNB1 | |
| SCHEMBL29566691 | 0.82 | LTA4H (0.38) | LTA4HHTR3EHTR3BADRB1HTR3A | |
| SCHEMBL24309487 | 0.82 | LTA4H (0.38) | LTA4HHTR3EHTR3BADRB1HTR3A | |
| SCHEMBL24310033 | 0.81 | LTA4H (0.32) | LTA4HACVR1RETCCNB2CCNE2 | |
| SCHEMBL24309743 | 0.80 | LTA4H (0.41) | LTA4HHTR3EHTR3BADRB1HTR3A | |
| SCHEMBL24309744 | 0.77 | LTA4H (0.38) | LTA4HHTR3EHTR3BADRB1HTR3A | |
| SCHEMBL24309527 | 0.75 | DRD2 (0.39) | EGFRBRD4 |
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 |