Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 4/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | HTR7 | P34969 | 3/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | WEE1 | P30291 | 2/20 | 0.30 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309350 | 0.94 | HTR3A (0.33) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL24310587 | 0.90 | FLT3 (0.37) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL24309516 | 0.84 | FLT3 (0.35) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL29566284 | 0.83 | HTR3E (0.39) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL26808265 | 0.83 | HTR3E (0.39) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL24309954 | 0.83 | HTR1D (0.36) | HTR1AHTR7HTR2AHTR6HTR1D | |
| SCHEMBL24310555 | 0.83 | BTK (0.35) | PIM1PIM3PIM2 | |
| SCHEMBL24309872 | 0.83 | CCNA2 (0.40) | PIM1 | |
| SCHEMBL24310347 | 0.83 | GPR39 (0.39) | WEE1 | |
| SCHEMBL24310563 | 0.82 | HPGD (0.31) | — |
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 |