Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14945734 | 0.92 | ALDH1A1 (0.42) | HPGDALDH1A1CA12CA9CA2 | |
| SCHEMBL14201288 | 0.92 | SIGMAR1 (0.46) | HPGDALDH1A1CA12CA9CA2 | |
| SCHEMBL22797715 | 0.91 | CA12 (0.41) | HPGDALDH1A1CA12CA9CA2 | |
| SCHEMBL14201114 | 0.88 | CA12 (0.41) | HPGDALDH1A1CA12CA9CA2 | |
| SCHEMBL14201275 | 0.86 | CA12 (0.48) | HPGDALDH1A1CA12CA9CA2 | |
| SCHEMBL14200265 | 0.84 | CA12 (0.39) | HPGDALDH1A1CA12CA9CA2 | |
| SCHEMBL14200325 | 0.83 | CA12 (0.45) | HPGDALDH1A1CA12CA9CA2 | |
| SCHEMBL28545566 | 0.83 | CA12 (0.44) | CA12CA9CA2CA1 | |
| SCHEMBL22900144 | 0.82 | ALDH1A1 (0.36) | HPGDALDH1A1CA12CA9CA2 | |
| SCHEMBL14201067 | 0.81 | CA12 (0.44) | CA12CA9CA2CA1SIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3088397-B1 | COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER | CANBAS CO LTD (JP) | 2019-04-10 | — | — | EP | disclosed |
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |