Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 4/20 | 0.37 |
| ▸ | HTR7 | P34969 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GPR39 | O43194 | 1/20 | 0.36 |
| ▸ | BRD1 | O95696 | 1/20 | 0.35 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.35 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309628 | 1.00 | TDP1 (0.37) | TDP1HTR1AHTR7TSHRSMN1; SMN2 | |
| SCHEMBL26807497 | 0.97 | HTR1A (0.38) | TDP1HTR1AHTR7TSHRSMN1; SMN2 | |
| SCHEMBL26811043 | 0.88 | TSHR (0.45) | TDP1TSHRSMN1; SMN2GPR39ATR | |
| SCHEMBL26807492 | 0.86 | HTR1A (0.36) | HTR1AHTR7TSHRSMN1; SMN2GPR39 | |
| SCHEMBL24309685 | 0.85 | MAPT (0.47) | TDP1HTR1AHTR7TSHRSMN1; SMN2 | |
| SCHEMBL29566709 | 0.84 | HTR1A (0.35) | HTR1AHTR7TSHRSMN1; SMN2GPR39 | |
| SCHEMBL24309305 | 0.84 | HTR1A (0.35) | HTR1AHTR7TSHRSMN1; SMN2GPR39 | |
| SCHEMBL26807498 | 0.84 | HTR1A (0.40) | HTR1AHTR7TSHRSMN1; SMN2GPR39 | |
| SCHEMBL26807495 | 0.83 | HTR1A (0.38) | HTR1AHTR7TSHRSMN1; SMN2GPR39 | |
| SCHEMBL24310345 | 0.81 | TSHR (0.43) | HTR1AHTR7TSHRSMN1; SMN2GPR39 |
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 |