Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.46 |
| ▸ | CA1 | P00915 | 6/20 | 0.46 |
| ▸ | CA6 | P23280 | 4/20 | 0.46 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 7/20 | 0.38 |
| ▸ | CA9 | Q16790 | 7/20 | 0.38 |
| ▸ | CA5A | P35218 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | CA3 | P07451 | 2/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5880820 | 1.00 | CA2 (0.46) | CA2CA1CA6CA4ALDH1A1 | |
| SCHEMBL23043571 | 0.88 | ALDH1A1 (0.52) | CA2CA1CA6CA4ALDH1A1 | |
| SCHEMBL29008152 | 0.84 | TSHR (0.35) | CA2CA1CA6CA4ALDH1A1 | |
| SCHEMBL29603298 | 0.82 | L3MBTL1 (0.41) | CA2CA1CA6CA4ALDH1A1 | |
| SCHEMBL700745 | 0.82 | L3MBTL1 (0.41) | CA2CA1CA6CA4ALDH1A1 | |
| SCHEMBL30291192 | 0.81 | CA2 (0.42) | CA2CA1CA6CA4ALDH1A1 | |
| SCHEMBL8480118 | 0.80 | CA2 (0.61) | CA2CA1CA6CA4ALDH1A1 | |
| SCHEMBL31370840 | 0.80 | CA2 (0.61) | CA2CA1CA6CA4ALDH1A1 | |
| SCHEMBL4541616 | 0.80 | TRPV4 (0.36) | CA2CA1CA6CA4ALDH1A1 | |
| SCHEMBL701462 | 0.79 | ALDH1A1 (0.55) | CA2CA1CA6CA4ALDH1A1 |
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-2023004280-A1 | SELECTIVE PYRAZOLE LRRK2 INHIBITORS AND METHODS FOR USE THEREOF | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2023-01-26 | — | — | WO | disclosed |