Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.44 |
| ▸ | CA1 | P00915 | 6/20 | 0.39 |
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA6 | P23280 | 5/20 | 0.39 |
| ▸ | CA7 | P43166 | 5/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22792159 | 0.85 | CA2 (0.55) | CA2CA1CA12CA6CA7 | |
| SCHEMBL20692226 | 0.81 | CA2 (0.41) | CA2CA1CA12CA6CA7 | |
| SCHEMBL13180189 | 0.79 | KDM4E (0.41) | CA2CA1CA12CA6CA7 | |
| SCHEMBL27494385 | 0.75 | CA2 (0.41) | CA2CA1CA12CA6CA7 | |
| SCHEMBL14243210 | 0.72 | HRH3 (0.37) | CA2KDM4EL3MBTL1NPC1RAB9A | |
| SCHEMBL12309804 | 0.72 | NPC1 (0.36) | CA2KDM4EL3MBTL1NPC1RAB9A | |
| SCHEMBL8038232 | 0.72 | CYP11B1 (0.60) | KDM4ENPC1RAB9ASMN1; SMN2HTR2A | |
| SCHEMBL22012201 | 0.71 | CA2 (0.69) | CA2CA1CA12CA6CA7 | |
| SCHEMBL3129807 | 0.69 | PSIP1 (0.53) | CA2CA1CA12CA6CA7 | |
| SCHEMBL12409435 | 0.68 | CA2 (0.57) | CA2CA1CA12CA6CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020102574-A1 | THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |