Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 2/20 | 0.64 |
| ▸ | P4HB known ✓ | P07237 | 1/20 | 0.42 |
| ▸ | MCL1 known ✓ | Q07820 | 2/20 | 0.41 |
| ▸ | CDC25B | P30305 | 7/20 | 0.64 |
| ▸ | IDO1 | P14902 | 5/20 | 0.64 |
| ▸ | MAOA | P21397 | 3/20 | 0.64 |
| ▸ | SNCA | P37840 | 2/20 | 0.64 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.64 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.64 |
| ▸ | AKT1 | P31749 | 1/20 | 0.64 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.64 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.64 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | MEN1 | O00255 | 7/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | THRB | P10828 | 4/20 | 0.45 |
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 SCHEMBL14764076 | 1.00 | CDC25B (0.64) | CDC25BIDO1MAOAMAOBSNCA | |
| Naphthoquinone SCHEMBL27601003 | 0.88 | IDO1 (0.74) | CDC25BIDO1MAOAMAOBSNCA | |
| Naphthoquinone SCHEMBL8156846 | 0.86 | IDO1 (0.70) | CDC25BIDO1MAOAMAOBSNCA | |
| Naphthoquinone SCHEMBL5157263 | 0.86 | IDO1 (0.70) | CDC25BIDO1MAOAMAOBSNCA | |
| Naphthoquinone SCHEMBL27749420 | 0.84 | CDC25B (0.61) | CDC25BIDO1MAOAMAOBSNCA | |
| Naphthoquinone SCHEMBL27995889 | 0.83 | CDC25B (0.82) | CDC25BIDO1MAOAMAOBSNCA | |
| Naphthoquinone SCHEMBL27583560 | 0.83 | CDC25B (0.58) | CDC25BIDO1MAOAMAOBSNCA | |
| Naphthoquinone SCHEMBL14763779 | 0.83 | IDO1 (0.93) | CDC25BIDO1MAOAMAOBSNCA | |
| Naphthoquinone SCHEMBL27749419 | 0.80 | CDC25B (0.61) | CDC25BIDO1MAOAMAOBSNCA | |
| Naphthoquinone SCHEMBL29148131 | 0.80 | CDC25B (0.61) | CDC25BIDO1MAOAMAOBSNCA |
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 |