Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CCR10 | P46092 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8569504 | 0.89 | NR3C2 (0.34) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8562850 | 0.81 | CYP4A11 (0.35) | CA12CA1CA2CA9CA14 | |
| SCHEMBL27361709 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL8565003 | 0.78 | CA12 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8567806 | 0.78 | CA12 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8567809 | 0.78 | CA12 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8566225 | 0.71 | CA12 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL10556917 | 0.71 | CA12 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7428972 | 0.70 | CA12 (0.42) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8569509 | 0.70 | CA12 (0.42) | 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 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 |