Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GRM6 | O15303 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8464477 | 0.81 | KMT2A (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL162737 | 0.77 | ALDH1A1 (0.37) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8628177 | 0.77 | TSHR (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL4144275 | 0.76 | ALDH1A1 (0.53) | CA12CA1CA2CA9CA14 | |
| SCHEMBL18800846 | 0.76 | ALDH1A1 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL17215600 | 0.76 | ALDH1A1 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1680515 | 0.73 | METAP1 (0.46) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL5549783 | 0.72 | MEN1 (0.44) | CA12CA1CA2CA9CA14 | |
| SCHEMBL21543943 | 0.72 | ALDH1A1 (0.40) | CA12CA1CA2CA9CA14 | |
| Cyclohexane SCHEMBL6031613 | 0.72 | ALDH1A1 (0.49) | CA12CA1CA2CA9CA14 |
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 5 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 |
| CN-1070402-A | The pyrimidine derivatives of condensation | EISAI CO LTD (JP) | 1993-03-31 | — | — | CN | disclosed |
| EP-0530579-A1 | Condensed pyrimidine derivatives antitumor agents | Eisai Co., Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |