Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 5/20 | 0.35 |
| ▸ | HTR7 | P34969 | 5/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310091 | 1.00 | TDP1 (0.41) | TDP1LMNAHTTBRD4TSHR | |
| SCHEMBL29566577 | 0.91 | TDP1 (0.47) | TDP1LMNAHTTBRD4TSHR | |
| SCHEMBL26812772 | 0.91 | TDP1 (0.47) | TDP1LMNAHTTBRD4TSHR | |
| SCHEMBL29567008 | 0.91 | TDP1 (0.45) | TDP1LMNAHTTBRD4TSHR | |
| SCHEMBL24309354 | 0.91 | TDP1 (0.45) | TDP1LMNAHTTBRD4TSHR | |
| SCHEMBL29567109 | 0.90 | TDP1 (0.42) | TDP1LMNAHTTBRD4TSHR | |
| SCHEMBL24310800 | 0.90 | TDP1 (0.42) | TDP1LMNAHTTBRD4TSHR | |
| SCHEMBL26812774 | 0.89 | KDM1A (0.45) | TDP1LMNAHTTHTR1AHTR7 | |
| SCHEMBL29566464 | 0.89 | KDM1A (0.45) | TDP1LMNAHTTHTR1AHTR7 | |
| SCHEMBL26806777 | 0.89 | TDP1 (0.40) | TDP1LMNAHTTBRD4TSHR |
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 |