Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.63 |
| ▸ | CA2 | P00918 | 12/20 | 0.63 |
| ▸ | CA9 | Q16790 | 10/20 | 0.63 |
| ▸ | CA12 | O43570 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2479803 | 0.84 | CA1 (0.66) | CA1CA2CA9CA12HRH3 | |
| SCHEMBL26648607 | 0.79 | CA2 (0.46) | CA1CA2CA9CA12KDM4E | |
| SCHEMBL32689494 | 0.77 | HRH3 (0.77) | CA1CA2CA9CA12KDM4E | |
| SCHEMBL23657366 | 0.76 | ITGB3 (0.45) | CA1CA2CA9CA12 | |
| SCHEMBL8300077 | 0.76 | CYP3A4 (0.56) | CA1CA2CA9KDM4EALDH1A1 | |
| SCHEMBL9514721 | 0.76 | CA2 (0.61) | CA1CA2CA9CA12KDM4E | |
| SCHEMBL23657186 | 0.74 | CA1 (0.49) | CA1CA2CA9CA12 | |
| SCHEMBL17315368 | 0.73 | CA1 (0.68) | CA1CA2CA9CA12SOS1 | |
| SCHEMBL614784 | 0.72 | KDM4E (0.58) | CA1CA2CA9CA12KDM4E | |
| SCHEMBL30631698 | 0.72 | ALDH1A1 (0.58) | CA1CA2CA9CA12KDM4E |
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-2021145729-A1 | NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF | DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) | 2021-07-22 | — | — | WO | disclosed |