Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 5/20 | 0.51 |
| ▸ | CDC25B | P30305 | 10/20 | 0.49 |
| ▸ | CDC25A | P30304 | 9/20 | 0.49 |
| ▸ | MAP2K7 | O14733 | 5/20 | 0.49 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17250515 | 0.84 | HKDC1 (0.56) | S100A4CDC25BCDC25AMAP2K7HKDC1 | |
| SCHEMBL17249990 | 0.83 | HKDC1 (0.62) | S100A4CDC25BCDC25AMAP2K7HKDC1 | |
| SCHEMBL9713854 | 0.82 | HKDC1 (0.65) | S100A4CDC25BCDC25AMAP2K7HKDC1 | |
| SCHEMBL17249987 | 0.82 | CDC25B (0.53) | S100A4CDC25BCDC25AMAP2K7HKDC1 | |
| SCHEMBL17250526 | 0.79 | P4HB (0.49) | S100A4CDC25BCDC25AMAP2K7HKDC1 | |
| SCHEMBL17250423 | 0.76 | HKDC1 (0.83) | S100A4CDC25BCDC25AMAP2K7HKDC1 | |
| SCHEMBL17250424 | 0.73 | HKDC1 (0.62) | S100A4CDC25BCDC25AMAP2K7HKDC1 | |
| SCHEMBL17249983 | 0.73 | S100A4 (0.56) | S100A4CDC25BCDC25AMAP2K7HKDC1 | |
| SCHEMBL17250426 | 0.71 | MAPT (0.58) | S100A4CDC25BCDC25AMAP2K7HKDC1 | |
| SCHEMBL482240 | 0.70 | HAO1 (0.55) | PKM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015172076-A1 | NAPHTHAQUINONE METHYLTRANSFERASE INHIBITORS AND USES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2015-11-12 | — | — | WO | disclosed |