Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.62 |
| ▸ | CA1 | P00915 | 3/20 | 0.62 |
| ▸ | CA2 | P00918 | 3/20 | 0.62 |
| ▸ | CA7 | P43166 | 3/20 | 0.62 |
| ▸ | CA9 | Q16790 | 3/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.62 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | PLG | P00747 | 2/20 | 0.50 |
| ▸ | KLK1 | P06870 | 2/20 | 0.50 |
| ▸ | KLK6 | Q92876 | 2/20 | 0.50 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL648753 | 1.00 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13609957 | 0.88 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3157053 | 0.86 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14168030 | 0.86 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23645185 | 0.85 | CFTR (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13280707 | 0.84 | CFTR (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4397432 | 0.83 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8081709 | 0.83 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10744053 | 0.82 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13609971 | 0.82 | CA12 (0.54) | CA12CA1CA2CA7CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117924170-A | Methods for preparing modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-111479804-B | Methods for preparing modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-12-22 | — | — | CN | disclosed |
| EP-4259139-A1 | METHODS OF TREATMENT FOR CYSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2023-10-18 | — | — | EP | disclosed |
| CN-116829148-A | Methods of treating cystic fibrosis | 弗特克斯药品有限公司 | 2023-09-29 | — | — | CN | disclosed |
| WO-2022125826-A1 | METHODS OF TREATMENT FOR CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-06-16 | — | — | WO | disclosed |