Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | HPGD | P15428 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19418868 | 0.88 | MAP2K4 (0.45) | MAP2K4ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL27748860 | 0.70 | TSPO (0.43) | ALDH1A1KDM4ECYP2C9GAACYP3A4 | |
| SCHEMBL13804185 | 0.67 | NUDT1 (0.53) | ALDH1A1HPGDKDM4ECYP1A2CYP2C19 | |
| SCHEMBL3969357 | 0.66 | MAP2K4 (0.46) | MAP2K4ALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL1998972 | 0.65 | KDM4E (0.42) | ALDH1A1HPGDKDM4ECYP1A2GAA | |
| SCHEMBL213577 | 0.64 | MYC (0.41) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL21312018 | 0.64 | GAA (0.52) | ALDH1A1HPGDKDM4EGAASMN1; SMN2 | |
| SCHEMBL15616223 | 0.63 | TNKS (0.56) | ALDH1A1HPGDKDM4EGAASMN1; SMN2 | |
| SCHEMBL4829403 | 0.62 | ADORA1 (0.58) | ADORA3MEN1KMT2A | |
| SCHEMBL28100413 | 0.62 | SLC2A1 (0.46) | ALDH1A1HPGDKDM4ETSHRSMN1; SMN2 |
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-3424534-B1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES | VERTEX PHARMA (US) | 2021-06-02 | — | — | EP | disclosed |
| EP-3131582-B1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES | VERTEX PHARMA (US) | 2018-05-23 | — | — | EP | disclosed |