Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. 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 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CDC25A | P30304 | 3/20 | 0.50 |
| ▸ | CDC25B | P30305 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14763777 | 0.88 | MAPT (0.56) | MAPTMAPK1ALDH1A1CDC25ACDC25B | |
| Bromide SCHEMBL14764196 | 0.86 | MAPT (0.54) | MAPTMAPK1ALDH1A1CDC25ACDC25B | |
| Naphthoquinone SCHEMBL14764076 | 0.74 | CDC25B (0.64) | MAPTMAPK1ALDH1A1CDC25ACDC25B | |
| Naphthoquinone SCHEMBL14765271 | 0.74 | CDC25B (0.64) | MAPTMAPK1ALDH1A1CDC25ACDC25B | |
| Menadione SCHEMBL5689015 | 0.73 | ALDH1A1 (0.84) | MAPTMAPK1ALDH1A1CDC25ACDC25B | |
| Menadione SCHEMBL28229328 | 0.73 | ALDH1A1 (0.84) | MAPTMAPK1ALDH1A1CDC25ACDC25B | |
| Menadione SCHEMBL27354760 | 0.72 | ALDH1A1 (0.81) | MAPTMAPK1ALDH1A1CDC25ACDC25B | |
| SCHEMBL30094883 | 0.71 | MAPT (0.50) | MAPTMAPK1ALDH1A1CDC25ACDC25B | |
| SCHEMBL191617 | 0.71 | MAPT (0.50) | MAPTMAPK1ALDH1A1CDC25ACDC25B | |
| SCHEMBL7740059 | 0.69 | CDC25B (0.48) | MAPTMAPK1ALDH1A1CDC25ACDC25B |
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 |