Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8384885 | 0.82 | MAPT (0.55) | ALDH1A1KDM4EUSP2MAPTGAA | |
| SCHEMBL29377777 | 0.78 | KDM4E (0.67) | ALDH1A1KDM4EUSP2MAPTGAA | |
| SCHEMBL2438047 | 0.78 | KDM4E (0.67) | ALDH1A1KDM4EUSP2MAPTGAA | |
| SCHEMBL77823 | 0.78 | KDM4E (0.67) | ALDH1A1KDM4EUSP2MAPTGAA | |
| SCHEMBL3728151 | 0.77 | CA2 (0.38) | ALDH1A1MAPTMAPK1TSHRLMNA | |
| SCHEMBL212391 | 0.76 | ALDH1A1 (0.64) | ALDH1A1KDM4EUSP2MAPTGAA | |
| SCHEMBL29389101 | 0.76 | ALDH1A1 (0.64) | ALDH1A1KDM4EUSP2MAPTGAA | |
| SCHEMBL15514306 | 0.76 | ALDH1A1 (0.64) | ALDH1A1KDM4EUSP2MAPTGAA | |
| Ammonia Solution, Strong SCHEMBL5361377 | 0.76 | KDM4E (0.64) | ALDH1A1KDM4EUSP2MAPTGAA | |
| SCHEMBL2811538 | 0.76 | CA2 (0.41) | ALDH1A1MAPTGAAMAPK1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105829315-B | Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors | 阿尔麦克探索有限公司 | 2019-03-08 | — | — | CN | disclosed |
| EP-3083625-A1 | PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS | Almac Discovery Limited (GB) | 2016-10-26 | — | — | EP | disclosed |
| CN-105829315-A | Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors | 阿尔麦克探索有限公司 | 2016-08-03 | — | — | CN | disclosed |
| WO-2015092431-A1 | PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS | ALMAC DISCOVERY LIMITED (GB) | 2015-06-25 | — | — | WO | disclosed |
| EP-0641311-A1 | NOVEL DIHYDROXYBENZYLAMINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Aventis Pharma S.A. (FR) | 1995-03-08 | — | — | EP | disclosed |
| WO-1993023364-A1 | NOVEL DIHYDROXYBENZYLAMINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | RHONE-POULENC RORER S.A. (FR) | 1993-11-25 | — | — | WO | disclosed |