Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | PRKDC | P78527 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.51 |
| ▸ | ERN1 | O75460 | 6/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15054285 | 0.92 | ALDH1A1 (0.55) | ALDH1A1KDM4ETDP1TSHRPRKDC | |
| SCHEMBL1049563 | 0.89 | ALDH1A1 (0.66) | ALDH1A1KDM4ETDP1TSHRPRKDC | |
| SCHEMBL10394357 | 0.88 | ALDH1A1 (0.69) | ALDH1A1KDM4ETDP1TSHRPRKDC | |
| SCHEMBL15813932 | 0.84 | ALDH1A1 (0.53) | ALDH1A1KDM4ETDP1TSHRPRKDC | |
| SCHEMBL19628273 | 0.84 | ALDH1A1 (0.53) | ALDH1A1KDM4ETDP1TSHRPRKDC | |
| SCHEMBL7401545 | 0.83 | ALDH1A1 (0.69) | ALDH1A1KDM4ETDP1TSHRPRKDC | |
| SCHEMBL23214848 | 0.82 | PRKDC (0.61) | ALDH1A1KDM4ETDP1TSHRPRKDC | |
| SCHEMBL3647717 | 0.82 | ERN1 (0.54) | ALDH1A1KDM4ETDP1TSHRPRKDC | |
| SCHEMBL836861 | 0.82 | ALDH1A1 (0.52) | ALDH1A1KDM4ETDP1TSHRPRKDC | |
| SCHEMBL1054210 | 0.82 | ALDH1A1 (0.55) | ALDH1A1KDM4ETDP1TSHRPRKDC |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109180578-B | Preparation method of bosutinib | 山东创新药物研发有限公司 | 2020-06-26 | — | — | CN | disclosed |
| US-6015774-A | Pyrazin-2-one derivatives, their use, and intermediates for their production | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-01-18 | — | — | US | disclosed |
| EP-0859765-A1 | PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1998-08-26 | — | — | EP | disclosed |
| WO-1997011060-A1 | PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-03-27 | — | — | WO | disclosed |