Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.51 |
| ▸ | CA2 | P00918 | 6/20 | 0.51 |
| ▸ | CA9 | Q16790 | 6/20 | 0.51 |
| ▸ | CA12 | O43570 | 5/20 | 0.51 |
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.39 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20673909 | 0.75 | LDHA (0.47) | CA1CA2CA9CA12LDHA | |
| SCHEMBL28024134 | 0.73 | NR4A2 (0.50) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL9775931 | 0.73 | FGFR1 (0.45) | ALDH1A1KDM4EFGFR1NR4A2PLA2G4A | |
| SCHEMBL27842288 | 0.73 | ALDH1A1 (0.74) | ALDH1A1KDM4EFGFR1NR4A2NPC1 | |
| SCHEMBL13335129 | 0.73 | NR4A2 (0.49) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL17558538 | 0.72 | NR4A2 (0.46) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL8879062 | 0.72 | CAPN1 (0.61) | CA1CA2CA9CA12CDK2 | |
| SCHEMBL2173879 | 0.71 | CA2 (0.54) | CA1CA2CA9CDK2ALDH1A1 | |
| SCHEMBL30723491 | 0.71 | CA2 (0.44) | CA1CA2CA9CA12LDHA | |
| SCHEMBL28315168 | 0.71 | CA2 (0.44) | CA1CA2CA9CA12LDHA |
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-2017031276-A1 | METHODS OF PROVIDING NEUROPROTECTIVE THERAPY RELATED TO ADMINISTERING AN ESTROGEN RECEPTOR BETA LIGAND | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-02-23 | — | — | WO | disclosed |