Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | APEX1 | P27695 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28523185 | 0.85 | KDM4E (0.57) | ALDH1A1MAPTKDM4ECYP3A4GAA | |
| SCHEMBL101125 | 0.85 | ALDH1A1 (0.61) | ALDH1A1MAPTKDM4ECYP3A4GAA | |
| SCHEMBL30708577 | 0.85 | ALDH1A1 (0.61) | ALDH1A1MAPTKDM4ECYP3A4GAA | |
| SCHEMBL26972103 | 0.85 | ALDH1A1 (0.61) | ALDH1A1MAPTKDM4ECYP3A4GAA | |
| Carbamic Acid SCHEMBL9949365 | 0.81 | ALDH1A1 (0.57) | ALDH1A1MAPTKDM4ECYP3A4GAA | |
| Dimethylaminoethanol SCHEMBL8614739 | 0.79 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4ECYP3A4GAA | |
| Deanol SCHEMBL6949002 | 0.79 | CES2 (0.47) | ALDH1A1GAAPTPN1MEN1KMT2A | |
| Aminobenzoic Acid SCHEMBL19952814 | 0.77 | KDM4E (0.52) | ALDH1A1MAPTKDM4ECYP3A4GAA | |
| SCHEMBL25489230 | 0.73 | NR1H4 (0.54) | ALDH1A1MAPTKDM4ECYP3A4GAA | |
| SCHEMBL8846393 | 0.73 | MAPT (0.47) | ALDH1A1MAPTKDM4ECYP3A4GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5789417-A | ANTICARCINOGENIC AGENTS | ZENECA LIMITED (GB) | 1998-08-04 | — | — | US | disclosed |
| US-5747499-A | CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1998-05-05 | — | — | US | disclosed |