Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 17/20 | 0.39 |
| ▸ | CA1 | P00915 | 15/20 | 0.39 |
| ▸ | CA9 | Q16790 | 14/20 | 0.39 |
| ▸ | CA12 | O43570 | 13/20 | 0.39 |
| ▸ | CA5A | P35218 | 8/20 | 0.39 |
| ▸ | CA7 | P43166 | 8/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 8/20 | 0.39 |
| ▸ | CA6 | P23280 | 6/20 | 0.39 |
| ▸ | CA4 | P22748 | 6/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.39 |
| ▸ | CA3 | P07451 | 3/20 | 0.39 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | AGO2 | Q9UKV8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2166338 | 0.78 | NAPRT (0.41) | TSHRTDP1ALDH1A1HTT | |
| SCHEMBL20526138 | 0.74 | ALDH1A1 (0.39) | ALDH1A1HTT | |
| SCHEMBL1487037 | 0.69 | CA2 (0.57) | CA2CA1CA9CA12CA5A | |
| SCHEMBL8031075 | 0.67 | ALOX5AP (0.41) | CA2CA1CA9CA12CA5A | |
| SCHEMBL969841 | 0.65 | CA2 (0.39) | CA2CA1CA9CA12CA5A | |
| SCHEMBL332270 | 0.64 | — | — | |
| SCHEMBL14988713 | 0.64 | CA2 (0.42) | CA2CA1CA9CA12CA5A | |
| SCHEMBL202948 | 0.64 | CA2 (0.81) | CA2CA1CA9CA12CA5A | |
| SCHEMBL4907036 | 0.63 | LMNA (0.35) | — | |
| SCHEMBL7570703 | 0.62 | CA2 (0.46) | CA2CA1CA9CA12CA5A |
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-112004817-A | Macrocyclic compounds as modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions thereof, their use in the treatment of cystic fibrosis, and processes for their preparation | 弗特克斯药品有限公司 | 2020-11-27 | — | — | CN | disclosed |