Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9624088 | 0.82 | CYP3A4 (0.41) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9624144 | 0.82 | TDP1 (0.41) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9623981 | 0.78 | TDP1 (0.41) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9624223 | 0.78 | CYP3A4 (0.41) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL12215945 | 0.77 | KDM4C (0.49) | TDP1KDM4EGAAALDH1A1 | |
| SCHEMBL9624693 | 0.77 | CA12 (0.40) | CYP3A4TDP1KDM4EGAAMAOA | |
| SCHEMBL9623409 | 0.77 | CYP3A4 (0.37) | CYP3A4TDP1KDM4EGAAMAOA | |
| SCHEMBL617213 | 0.77 | CYP3A4 (0.57) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL25620250 | 0.77 | CYP3A4 (0.57) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL150139 | 0.75 | TDP1 (0.69) | CYP3A4TDP1KDM4EGAAESR1 |
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-2015081117-A2 | THERAPEUTIC METAL COMPLEXES | ECHOGEN, INC. (US) | 2015-06-04 | — | — | WO | disclosed |