Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL424113 | 0.85 | CA2 (0.48) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL27788656 | 0.83 | RNPEP (0.36) | ALDH1A1TDP1 | |
| Hydrogen Sulfide SCHEMBL8850278 | 0.83 | CA2 (0.47) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL29653838 | 0.81 | CA2 (0.53) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL10500761 | 0.81 | CA2 (0.53) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL10796449 | 0.81 | CA2 (0.53) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL211376 | 0.81 | CA2 (0.46) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| Zinc Ion SCHEMBL6051502 | 0.81 | CA2 (0.53) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL211377 | 0.80 | CA2 (0.51) | CA2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL31140170 | 0.80 | CA2 (0.51) | CA2ALDH1A1CYP3A4TSHRTDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117285547-A | Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation | 弗特克斯药品有限公司 | 2023-12-26 | — | — | CN | disclosed |