Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KIF11 | P52732 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4060400 | 0.85 | CYP2C19 (0.40) | ALDH1A1KIF11LMNAMAPTKDM4E | |
| SCHEMBL4060403 | 0.85 | CYP2C19 (0.40) | ALDH1A1KIF11LMNAMAPTKDM4E | |
| SCHEMBL4058650 | 0.83 | CYP3A4 (0.39) | GSK3B | |
| SCHEMBL4058658 | 0.83 | CYP3A4 (0.39) | GSK3B | |
| SCHEMBL3892613 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KIF11LMNAMAPTKDM4E | |
| SCHEMBL29226421 | 0.72 | ALDH1A1 (0.46) | ALDH1A1KIF11LMNAMAPTLDHA | |
| SCHEMBL29226417 | 0.72 | ALDH1A1 (0.46) | ALDH1A1KIF11LMNAMAPTLDHA | |
| SCHEMBL28076878 | 0.71 | KIF11 (0.55) | ALDH1A1KIF11LMNAKCNH2 | |
| SCHEMBL28076876 | 0.71 | KIF11 (0.55) | ALDH1A1KIF11LMNAKCNH2 | |
| SCHEMBL8079775 | 0.71 | ALDH1A1 (0.49) | ALDH1A1KIF11LMNAMAPTLDHA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009110655-A1 | NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES | SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) | 2009-09-11 | — | — | WO | claimed |
| WO-2009110655-A1 | NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES | SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) | 2009-09-11 | — | — | WO | disclosed |