Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | POR | P16435 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23655043 | 0.89 | ALDH1A1 (0.48) | ALDH1A1HSD17B10MAPK1TDP1L3MBTL1 | |
| SCHEMBL30645756 | 0.78 | CA1 (0.47) | ALDH1A1HSD17B10MAPK1TDP1L3MBTL1 | |
| SCHEMBL27032900 | 0.77 | ALDH1A1 (0.40) | ALDH1A1HSD17B10MAPK1TDP1L3MBTL1 | |
| SCHEMBL15349916 | 0.76 | ALDH1A1 (0.39) | ALDH1A1HSD17B10MAPK1TDP1L3MBTL1 | |
| SCHEMBL21012608 | 0.75 | ALDH1A1 (0.38) | ALDH1A1HSD17B10MAPK1TDP1L3MBTL1 | |
| SCHEMBL15349588 | 0.75 | ALDH1A1 (0.38) | ALDH1A1HSD17B10MAPK1TDP1L3MBTL1 | |
| SCHEMBL2762001 | 0.74 | PRKCA (0.49) | ALDH1A1MAPK1TDP1L3MBTL1 | |
| SCHEMBL31091551 | 0.74 | PRKCA (0.49) | ALDH1A1MAPK1TDP1L3MBTL1 | |
| SCHEMBL27032897 | 0.74 | TXNRD1 (0.49) | ALDH1A1TDP1L3MBTL1KMT2A | |
| SCHEMBL27379681 | 0.73 | TSHR (0.38) | ALDH1A1TDP1L3MBTL1CA1CA2 |
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-4308575-A1 | MACROCYCLES AS CFTR MODULATORS | Idorsia Pharmaceuticals Ltd (CH) | 2024-01-24 | — | — | EP | disclosed |
| WO-2022194399-A1 | MACROCYCLES AS CFTR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2022-09-22 | — | — | WO | disclosed |