Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11050846 | 0.86 | CTSA (0.38) | CTSAACHE | |
| SCHEMBL718098 | 0.78 | KDM4E (0.43) | CTSAACHEKDM4ETDP1ALDH1A1 | |
| SCHEMBL114969 | 0.77 | CTSA (0.48) | CTSAACHEKDM4EALDH1A1POLB | |
| SCHEMBL8626497 | 0.74 | CTSA (0.46) | CTSAACHEKDM4EALDH1A1POLB | |
| SCHEMBL15185856 | 0.72 | CTSA (0.43) | CTSAACHEKDM4ETDP1ALDH1A1 | |
| SCHEMBL11050344 | 0.71 | — | — | |
| SCHEMBL3389505 | 0.70 | — | — | |
| SCHEMBL2331836 | 0.69 | KDM4E (0.50) | KDM4E | |
| SCHEMBL3083684 | 0.69 | KDM4E (0.43) | CTSAACHEKDM4ETDP1ALDH1A1 | |
| SCHEMBL10395316 | 0.69 | CTSA (0.40) | CTSAACHEKDM4EALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-4478763-A | TREATMENT OF DIPHOSPHONATE ESTERS WITH POTASSIUM TERT-BUTOXIDE AND PERCHLORYL FLUORIDE | UNIV. OF SOUTHERN CALIFORNIA (US) | 1984-10-23 | — | — | US | disclosed |