Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CDC7 | O00311 | 2/20 | 0.48 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.48 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KDM5A | P29375 | 1/20 | 0.46 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL907851 | 1.00 | SIRT3 (0.58) | SIRT3TDP1TSHRTP53CASP1 | |
| Ethane SCHEMBL28930003 | 0.98 | SIRT3 (0.56) | SIRT3TDP1TSHRTP53CASP1 | |
| Iodomethane SCHEMBL10841815 | 0.97 | SIRT3 (0.54) | SIRT3TDP1TSHRTP53CASP1 | |
| SCHEMBL3515887 | 0.87 | TSHR (0.60) | SIRT3TDP1TSHRTP53CASP1 | |
| SCHEMBL29837473 | 0.87 | TSHR (0.60) | SIRT3TDP1TSHRTP53CASP1 | |
| SCHEMBL277304 | 0.86 | TSHR (0.53) | SIRT3TDP1TSHRTP53CASP1 | |
| SCHEMBL27703244 | 0.85 | L3MBTL1 (0.58) | SIRT3TDP1TSHRTP53ALDH1A1 | |
| SCHEMBL6640350 | 0.84 | CA12 (0.56) | TSHRTP53CASP1CDC7DBF4 | |
| SCHEMBL18149317 | 0.84 | TSHR (0.52) | SIRT3TDP1TSHRTP53CASP1 | |
| SCHEMBL3963549 | 0.83 | ALDH1A1 (0.56) | SIRT3TDP1TSHRTP53ALDH1A1 |
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-4225447-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |