Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.58 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.58 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.58 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.58 |
| ▸ | CDC25B | P30305 | 4/20 | 0.48 |
| ▸ | CDC25A | P30304 | 3/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | MITF | O75030 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | S100A4 | P26447 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1556617 | 0.87 | CDC25B (0.60) | IDO1CDC25BCDC25AAURKAAURKB | |
| SCHEMBL16745430 | 0.87 | IDO1 (0.75) | IDO1DNMT1DNMT3LDNMT3ACDC25B | |
| SCHEMBL29881216 | 0.87 | IDO1 (0.75) | IDO1DNMT1DNMT3LDNMT3ACDC25B | |
| SCHEMBL8914003 | 0.83 | IDO1 (0.68) | IDO1DNMT1DNMT3LDNMT3ACDC25B | |
| SCHEMBL29881618 | 0.78 | NSD2 (0.64) | IDO1DNMT1DNMT3LDNMT3AMAPT | |
| SCHEMBL20046781 | 0.78 | NSD2 (0.64) | IDO1DNMT1DNMT3LDNMT3AMAPT | |
| SCHEMBL16745426 | 0.76 | APAF1 (0.58) | IDO1DNMT1DNMT3LDNMT3ACDC25B | |
| SCHEMBL20046960 | 0.76 | IDO1 (0.52) | IDO1DNMT1DNMT3LDNMT3AMAPT | |
| SCHEMBL20046823 | 0.76 | NSD2 (0.78) | IDO1DNMT1DNMT3LDNMT3AMAPT | |
| SCHEMBL9695242 | 0.75 | MAPT (0.61) | CDC25BCDC25AAURKAAURKBMAPT |
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-2018067842-A1 | AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2018-04-12 | — | — | WO | disclosed |