Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29035120 | 0.91 | MMP13 (0.48) | MMP13TDP1KDM4EPOLBPPARA | |
| SCHEMBL30530718 | 0.91 | MMP13 (0.48) | MMP13TDP1KDM4EPOLBPPARA | |
| SCHEMBL29035212 | 0.83 | MMP13 (0.48) | MMP13POLBPPARAALDH1A1LTA4H | |
| SCHEMBL30530866 | 0.83 | MMP13 (0.48) | MMP13POLBPPARAALDH1A1LTA4H | |
| SCHEMBL30639501 | 0.83 | AAK1 (0.42) | MMP13TDP1KDM4EPOLBPPARA | |
| SCHEMBL29097140 | 0.81 | PPARA (0.41) | MMP13TDP1KDM4EPOLBPPARA | |
| SCHEMBL30639589 | 0.81 | PPARA (0.41) | MMP13TDP1KDM4EPOLBPPARA | |
| SCHEMBL31527352 | 0.76 | MMP13 (0.40) | MMP13AAK1 | |
| SCHEMBL1009027 | 0.75 | PDK2 (0.58) | TDP1KDM4EPOLBPPARAALDH1A1 | |
| SCHEMBL20089212 | 0.75 | MMP13 (0.36) | MMP13AAK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4308575-A1 | MACROCYCLES AS CFTR MODULATORS | Idorsia Pharmaceuticals Ltd (CH) | 2024-01-24 | — | — | EP | disclosed |
| CN-116981672-A | Macrocyclic compounds as CFTR modulators | 爱杜西亚药品有限公司 | 2023-10-31 | — | — | CN | disclosed |
| WO-2022194399-A1 | MACROCYCLES AS CFTR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2022-09-22 | — | — | WO | disclosed |