Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GSK3A | P49840 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9729047 | 0.84 | ALDH1A1 (0.49) | ALDH1A1GSK3AGSK3BKDM4EPOLB | |
| SCHEMBL7356240 | 0.82 | ALDH1A1 (0.47) | ALDH1A1LMNAHSD17B10 | |
| SCHEMBL4251174 | 0.81 | TNF (0.56) | TNF | |
| SCHEMBL242052 | 0.76 | ALDH1A1 (0.41) | ALDH1A1LMNAHSD17B10 | |
| SCHEMBL13746372 | 0.75 | PDE4A (0.43) | ALDH1A1LMNATNF | |
| SCHEMBL7321137 | 0.74 | CASP6 (0.50) | ALDH1A1POLBLMNAHPGDMEN1 | |
| SCHEMBL7743865 | 0.73 | PDE4A (0.42) | ALDH1A1GSK3BKDM4ELMNAMAPT | |
| SCHEMBL9729025 | 0.72 | ALDH1A1 (0.51) | ALDH1A1GSK3AGSK3BKDM4EMAPK1 | |
| SCHEMBL13746093 | 0.72 | TNF (0.40) | KDM4ELMNAMAPK1TNF | |
| SCHEMBL1546702 | 0.71 | CASP6 (0.50) | ALDH1A1POLBLMNAHPGDMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175290-A | Bronchodilator, cardiotonic agents | MARION MERRELL DOW INC. (US) | 1992-12-29 | — | — | US | disclosed |