Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.49 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.49 |
| ▸ | REN | P00797 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8724334 | 1.00 | ITGA4 (0.49) | ITGA4ITGB7RENMMP13KLK5 | |
| SCHEMBL12600955 | 1.00 | ITGA4 (0.49) | ITGA4ITGB7RENMMP13KLK5 | |
| SCHEMBL6600202 | 0.88 | MMP8 (0.46) | ITGA4ITGB7RENMMP13ATM | |
| SCHEMBL20422634 | 0.88 | ESR1 (0.49) | ITGA4ITGB7RENMMP13CTSS | |
| SCHEMBL20422635 | 0.88 | ESR1 (0.49) | ITGA4ITGB7RENMMP13CTSS | |
| SCHEMBL17137969 | 0.88 | ITGA4 (0.50) | ITGA4ITGB7KLK5ATMCTSS | |
| SCHEMBL13163803 | 0.88 | ITGA4 (0.50) | ITGA4ITGB7KLK5ATMCTSS | |
| SCHEMBL7609380 | 0.88 | ITGA4 (0.50) | ITGA4ITGB7KLK5ATMCTSS | |
| SCHEMBL1401042 | 0.87 | MMP13 (0.46) | ITGA4ITGB7RENMMP13ATM | |
| SCHEMBL65502 | 0.87 | MMP13 (0.46) | ITGA4ITGB7RENMMP13ATM |
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 6 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 |
| US-5780498-A | PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS | CIBA-GEIGY JAPAN LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |
| EP-0728145-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | Ciba-Geigy Japan Limited (JP) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995012611-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | JAPAT LTD. (CH) | 1995-05-11 | — | — | WO | disclosed |