Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
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 | 0.82 | KDM4E (0.57) | ALDH1A1MAPTCYP3A4KDM4EGAA | |
| SCHEMBL26972103 | 0.82 | ALDH1A1 (0.61) | ALDH1A1MAPTCYP3A4KDM4EGAA | |
| SCHEMBL30708577 | 0.82 | ALDH1A1 (0.61) | ALDH1A1MAPTCYP3A4KDM4EGAA | |
| SCHEMBL101125 | 0.82 | ALDH1A1 (0.61) | ALDH1A1MAPTCYP3A4KDM4EGAA | |
| Carbamic Acid SCHEMBL9949365 | 0.79 | ALDH1A1 (0.57) | ALDH1A1MAPTCYP3A4KDM4EGAA | |
| Deanol SCHEMBL8614733 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPTCYP3A4KDM4EGAA | |
| Dimethylaminoethanol SCHEMBL1131230 | 0.78 | MEN1 (0.46) | ALDH1A1CYP3A4KDM4EGAAPTPN1 | |
| Dimethylaminoethanol SCHEMBL6949008 | 0.78 | MEN1 (0.46) | ALDH1A1CYP3A4KDM4EGAAPTPN1 | |
| SCHEMBL18677637 | 0.76 | ALDH1A1 (0.51) | ALDH1A1MAPTCYP3A4KDM4EGAA | |
| SCHEMBL2993559 | 0.75 | HTT (0.56) | ALDH1A1KDM4EBLMHPGDCYP2C19 |
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 |