Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HKDC1 | Q2TB90 | 4/20 | 0.41 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | CDC25A | P30304 | 1/20 | 0.37 |
| ▸ | CDC25B | P30305 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8958544 | 0.77 | DNMT1 (0.52) | HKDC1DNMT1MAPTTP53SMN1; SMN2 | |
| SCHEMBL3417111 | 0.74 | HKDC1 (0.56) | HKDC1ERBB2MAPTTP53SMN1; SMN2 | |
| SCHEMBL1676679 | 0.71 | DNMT1 (0.52) | HKDC1DNMT1BCHEACHEMAPT | |
| SCHEMBL8958416 | 0.71 | MAPT (0.46) | HKDC1DNMT1MAPTTP53SMN1; SMN2 | |
| SCHEMBL49737 | 0.69 | ERBB2 (0.62) | HKDC1ERBB2MAPTTP53SMN1; SMN2 | |
| SCHEMBL11025815 | 0.66 | MAPT (0.50) | HKDC1ERBB2MAPTTP53SMN1; SMN2 | |
| SCHEMBL9275509 | 0.64 | HKDC1 (0.46) | HKDC1ERBB2MAPTTP53SMN1; SMN2 | |
| SCHEMBL5485638 | 0.64 | MAPT (0.61) | HKDC1DNMT1MAPTTP53SMN1; SMN2 | |
| Triaziquone SCHEMBL7783197 | 0.62 | MAPT (0.46) | HKDC1DNMT1MAPTTP53SMN1; SMN2 | |
| Triaziquone SCHEMBL149876 | 0.62 | MAPT (0.46) | HKDC1DNMT1MAPTTP53SMN1; SMN2 |
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-5502214-A | OXIDATION OF CATECHOL WITH OXIDANT, NUCLEOPHILIC REAGENT AND METAL CATALYST | DANA FARBER CANCER INSTITUTE (US) | 1996-03-26 | — | — | US | disclosed |
| WO-1995003267-A1 | 1,2-BENZOQUINONES | DANA-FARBER CANCER INSTITUTE (US) | 1995-02-02 | — | — | WO | disclosed |