Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.45 |
| ▸ | GLA | P06280 | 3/20 | 0.45 |
| ▸ | TERT | O14746 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23130687 | 0.82 | ALDH1A1 (0.65) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL10056890 | 0.81 | KDM4E (0.64) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL7923976 | 0.81 | KDM4E (0.53) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL11513168 | 0.80 | KDM4E (0.51) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL10001928 | 0.79 | ALDH1A1 (0.53) | KDM4EALDH1A1TERTMEN1KMT2A | |
| SCHEMBL14367687 | 0.77 | TERT (0.48) | CA1CA2KDM4EALDH1A1HPGD | |
| SCHEMBL14399200 | 0.76 | HPGD (0.63) | CA1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL13273544 | 0.73 | CA1 (0.46) | CA1CA2HPGDTERTLMNA | |
| SCHEMBL14369937 | 0.73 | KDM4E (0.53) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL23153405 | 0.71 | POLB (0.42) | KDM4EALDH1A1HPGDGAAGLA |
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-2018048879-A1 | METAL CHELATORS FOR IMAGING, THERAPEUTICS, AND BIOANALYSIS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2018-03-15 | — | — | WO | disclosed |