Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 9/20 | 0.58 |
| ▸ | LMNA | P02545 | 7/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.58 |
| ▸ | CCR6 | P51684 | 3/20 | 0.58 |
| ▸ | HKDC1 | Q2TB90 | 3/20 | 0.58 |
| ▸ | TNF | P01375 | 1/20 | 0.58 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.58 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.58 |
| ▸ | CBFB | Q13951 | 1/20 | 0.58 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.58 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.58 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL14765070 | 0.86 | CYP1A2 (0.77) | CYP1A2CYP2C9HIF1AMAPK1MAPT | |
| SCHEMBL29506228 | 0.86 | CYP1A2 (0.77) | CYP1A2CYP2C9HIF1AMAPK1MAPT | |
| SCHEMBL28715336 | 0.83 | MAPK1 (0.58) | CYP1A2CYP2C9HIF1AMAPK1MAPT | |
| SCHEMBL14050063 | 0.83 | MAPT (0.51) | CYP1A2CYP2C9HIF1AMAPK1MAPT | |
| SCHEMBL1520566 | 0.82 | APAF1 (0.65) | CYP1A2CYP2C9HIF1AMAPK1MAPT | |
| SCHEMBL13546135 | 0.81 | MAPK1 (0.55) | CYP1A2CYP2C9HIF1AMAPK1MAPT | |
| SCHEMBL12833640 | 0.80 | MAPT (0.62) | CYP1A2CYP2C9HIF1AMAPK1MAPT | |
| SCHEMBL2555892 | 0.80 | MEN1 (0.81) | CYP1A2CYP2C9HIF1AMAPK1MAPT | |
| SCHEMBL8285406 | 0.79 | MAPT (0.53) | CYP1A2CYP2C9HIF1AMAPK1MAPT | |
| SCHEMBL28713484 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2C9HIF1AMAPK1MAPT |
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 |