Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Naphthoquinone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.50 |
| ▸ | CDC25B | P30305 | 6/20 | 0.88 |
| ▸ | IDO1 | P14902 | 6/20 | 0.88 |
| ▸ | MAOA | P21397 | 3/20 | 0.88 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.88 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.88 |
| ▸ | MAOB | P27338 | 2/20 | 0.88 |
| ▸ | SNCA | P37840 | 2/20 | 0.88 |
| ▸ | AKT1 | P31749 | 1/20 | 0.88 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.88 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.88 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.88 |
| ▸ | MEN1 | O00255 | 7/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | RECQL | P46063 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Naphthoquinone SCHEMBL2208241 | 0.97 | CDC25B (0.93) | CDC25BIDO1MAOAPIN1EHMT2 | |
| Naphthoquinone SCHEMBL14763779 | 0.97 | IDO1 (0.93) | CDC25BIDO1MAOAPIN1EHMT2 | |
| Naphthoquinone SCHEMBL11359780 | 0.94 | IDO1 (1.00) | CDC25BIDO1MAOAPIN1EHMT2 | |
| Naphthoquinone SCHEMBL42139 | 0.94 | IDO1 (1.00) | CDC25BIDO1MAOAPIN1EHMT2 | |
| Naphthoquinone SCHEMBL29354680 | 0.94 | IDO1 (1.00) | CDC25BIDO1MAOAPIN1EHMT2 | |
| Naphthoquinone SCHEMBL8861335 | 0.94 | IDO1 (1.00) | CDC25BIDO1MAOAPIN1EHMT2 | |
| Naphthoquinone SCHEMBL722080 | 0.90 | IDO1 (0.93) | CDC25BIDO1MAOAPIN1EHMT2 | |
| Naphthoquinone SCHEMBL10908172 | 0.90 | IDO1 (0.93) | CDC25BIDO1MAOAPIN1EHMT2 | |
| Naphthoquinone SCHEMBL2722901 | 0.90 | IDO1 (0.93) | CDC25BIDO1MAOAPIN1EHMT2 | |
| Naphthoquinone SCHEMBL5049300 | 0.90 | IDO1 (0.93) | CDC25BIDO1MAOAPIN1EHMT2 |
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-2013036766-A1 | SMALL MOLECULE NAPHTHOQUINONE- AND PHTHALIMIDE-BASED LIPOCATIONS AS ANTI-PARASITIC AGENTS | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2013-03-14 | — | — | WO | disclosed |