Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL477289 | 0.66 | ALDH1A1 (0.50) | ALDH1A1POLB | |
| SCHEMBL31157033 | 0.66 | ALDH1A1 (0.50) | ALDH1A1POLB | |
| SCHEMBL4728823 | 0.66 | KDM4E (0.41) | — | |
| SCHEMBL20150109 | 0.63 | TSHR (0.38) | ALDH1A1POLB | |
| SCHEMBL909787 | 0.60 | CBFB (0.54) | ALDH1A1POLB | |
| SCHEMBL28941969 | 0.58 | NQO2 (0.41) | ALDH1A1POLB | |
| SCHEMBL174453 | 0.58 | CYP1A2 (0.54) | ALDH1A1POLB | |
| SCHEMBL12452478 | 0.57 | ALDH1A1 (0.49) | ALDH1A1POLB | |
| SCHEMBL3969749 | 0.57 | ALDH1A1 (0.49) | ALDH1A1POLB | |
| SCHEMBL13154906 | 0.57 | ALDH1A1 (0.49) | ALDH1A1POLB |
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-2276750-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009120094-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-10-01 | — | — | WO | disclosed |