Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11389346 | 0.89 | ASAH1 (0.44) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL5161779 | 0.88 | ASAH1 (0.47) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL22116261 | 0.86 | ASAH1 (0.49) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL9831331 | 0.86 | ASAH1 (0.49) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL10384427 | 0.86 | ASAH1 (0.49) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL9348267 | 0.85 | TDP1 (0.49) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL7991346 | 0.83 | TNF (0.48) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL4627045 | 0.81 | ALDH1A1 (0.46) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL6659850 | 0.81 | TDP1 (0.49) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL18909733 | 0.81 | TDP1 (0.49) | ALDH1A1POLBKDM4ETP53GLA |
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-2003018789-A1 | ESTERASE EST4B1 OBTAINED FROM BACILLUS SUBTILIS | DEGUSSA AG (DE) | 2003-03-06 | — | — | WO | disclosed |
| US-4952664-A | Process for producing weather-resistant polycarbonate with triazine-imide chain terminator | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1990-08-28 | — | — | US | disclosed |