Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 19/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1683842 | 0.85 | CYP19A1 (0.48) | CYP19A1KDM4E | |
| SCHEMBL1683981 | 0.80 | MAPT (0.41) | CYP19A1KDM4EALDH1A1 | |
| SCHEMBL2544743 | 0.78 | MAPT (0.40) | CYP19A1 | |
| SCHEMBL2543254 | 0.78 | TUBB4A (0.42) | KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL2547764 | 0.77 | MAPT (0.39) | CYP19A1 | |
| Hydrochloric Acid SCHEMBL2539879 | 0.76 | HDAC3 (0.39) | CYP19A1KDM4E | |
| SCHEMBL2743529 | 0.72 | ALDH1A1 (0.57) | KDM4EALDH1A1TSHRTDP1 | |
| SCHEMBL15225838 | 0.71 | ALDH1A1 (0.50) | KDM4EALDH1A1 | |
| SCHEMBL4038581 | 0.70 | ALDH1A1 (0.47) | KDM4EALDH1A1 | |
| SCHEMBL1683776 | 0.68 | EGFR (0.58) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2303021-A2 | COMPOUNDS FOR THE TREATMENT OF CANCER | University of Tennessee Research Foundation (US) | 2011-04-06 | — | — | EP | disclosed |
| WO-2010074776-A2 | COMPOUNDS FOR THE TREATMENT OF CANCER | THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2010-07-01 | — | — | WO | disclosed |