Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4060296 | 0.87 | DHODH (0.43) | CES2ACHECES1LMNAMAPK1 | |
| SCHEMBL4060291 | 0.87 | DHODH (0.43) | CES2ACHECES1LMNAMAPK1 | |
| SCHEMBL4058655 | 0.84 | NPSR1 (0.52) | ALDH1A1LMNAMAPK1HPGDKDM4E | |
| SCHEMBL4058649 | 0.84 | NPSR1 (0.52) | ALDH1A1LMNAMAPK1HPGDKDM4E | |
| SCHEMBL4060402 | 0.84 | MEN1 (0.47) | CES2ACHECES1ALDH1A1LMNA | |
| SCHEMBL4060396 | 0.84 | MEN1 (0.47) | CES2ACHECES1ALDH1A1LMNA | |
| SCHEMBL11839741 | 0.75 | ALDH1A1 (0.49) | ALDH1A1LMNAALOX15APEX1MAPK1 | |
| SCHEMBL4057737 | 0.73 | GAA (0.43) | ALDH1A1LMNAMAPK1TDP1L3MBTL1 | |
| SCHEMBL4057733 | 0.73 | GAA (0.43) | ALDH1A1LMNAMAPK1TDP1L3MBTL1 | |
| SCHEMBL21501143 | 0.72 | CES2 (0.51) | CES2ACHECES1ALDH1A1LMNA |
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 |