Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29566775 | 0.97 | TSHR (0.34) | TSHRSMN1; SMN2PTPN11CCNT1CCNB2 | |
| SCHEMBL24309674 | 0.92 | TSHR (0.37) | TSHRSMN1; SMN2HTR1AHTR7BRD4 | |
| SCHEMBL29566748 | 0.88 | GAA (0.40) | TSHRSMN1; SMN2HTR1AHTR7BRD4 | |
| SCHEMBL24310086 | 0.88 | GAA (0.40) | TSHRSMN1; SMN2HTR1AHTR7BRD4 | |
| SCHEMBL26810218 | 0.88 | KMT2A (0.40) | TSHRSMN1; SMN2KDREGFRFGFR1 | |
| SCHEMBL26808238 | 0.88 | DGAT2 (0.36) | TSHRSMN1; SMN2PTPN11CCNT1CCNB2 | |
| SCHEMBL29566612 | 0.87 | TSHR (0.43) | TSHRSMN1; SMN2HTR1AHTR7BRD4 | |
| SCHEMBL24310345 | 0.87 | TSHR (0.43) | TSHRSMN1; SMN2HTR1AHTR7BRD4 | |
| SCHEMBL24310121 | 0.86 | BRD4 (0.39) | TSHRSMN1; SMN2PTPN11CCNT1CCNB2 | |
| SCHEMBL24310534 | 0.86 | DGAT2 (0.35) | TSHRSMN1; SMN2PTPN11CCNT1CCNB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4225748-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |