Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 7/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GRM6 | O15303 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | LIG1 | P18858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL109178 | 0.81 | TSHR (0.50) | CYP3A4ALDH1A1TSHRADRA1AADRA1B | |
| SCHEMBL30111657 | 0.81 | TSHR (0.50) | CYP3A4ALDH1A1TSHRADRA1AADRA1B | |
| Hydrogen Peroxide SCHEMBL29048859 | 0.79 | TSHR (0.48) | ALDH1A1HIF1ATSHRADRA1AADRA1B | |
| SCHEMBL14156434 | 0.78 | CYP3A4 (0.44) | CYP3A4ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL8599013 | 0.78 | CA12 (0.45) | CYP3A4ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL8564508 | 0.78 | NPC1 (0.50) | CYP3A4ALDH1A1KDM4ETSHRADRA1A | |
| SCHEMBL8598844 | 0.77 | ALDH1A1 (0.36) | CYP3A4ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL8597443 | 0.77 | MAPT (0.34) | CYP3A4ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL347774 | 0.76 | CYP3A4 (0.40) | CYP3A4ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL2547645 | 0.75 | TDP1 (0.47) | CYP3A4ALDH1A1MAPTHPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0530579-B1 | Condensed pyrimidine derivatives antitumor agents | EISAI CO LTD (JP) | 1998-11-11 | — | — | EP | disclosed |
| US-5688800-A | ANTITUMOR AGENTS | EISAI CO., LTD. (JP) | 1997-11-18 | — | — | US | disclosed |
| US-5554615-A | ANTITUMOR | EISAI CO., LTD. (JP) | 1996-09-10 | — | — | US | disclosed |
| EP-0530579-A1 | Condensed pyrimidine derivatives antitumor agents | Eisai Co., Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |