Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 8/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL14168870 | 0.83 | CYP17A1 (0.45) | CYP17A1CYP19A1 | |
| Acetic Acid SCHEMBL27980280 | 0.78 | CYP17A1 (0.43) | CYP17A1CYP19A1KDM4ECYP26A1KMT2A | |
| SCHEMBL28774803 | 0.77 | CYP17A1 (0.46) | CYP17A1CYP19A1KDM4ECYP26A1KMT2A | |
| SCHEMBL9459746 | 0.76 | — | — | |
| SCHEMBL3307573 | 0.76 | — | — | |
| SCHEMBL20800089 | 0.76 | CYP17A1 (0.49) | CYP17A1CYP19A1KDM4ECYP26A1KMT2A | |
| SCHEMBL9459911 | 0.76 | — | — | |
| Acetic Acid SCHEMBL27980247 | 0.76 | CYP17A1 (0.41) | CYP17A1CYP19A1KDM4ECYP26A1KMT2A | |
| SCHEMBL27980057 | 0.75 | KMT2A (0.41) | CYP17A1CYP19A1KDM4ECYP26A1KMT2A | |
| SCHEMBL29061183 | 0.75 | CYP19A1 (0.40) | CYP17A1CYP19A1KDM4ECYP26A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105131042-A | Chelate-type N-heterocyclic carbene palladium compound containing heteroaromatic group and preparation method of same | UNIV HENAN TECHNOLOGY | 2015-12-09 | — | — | CN | disclosed |