Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | IDO1 | P14902 | 1/20 | 0.56 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.56 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.56 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.56 |
| ▸ | HKDC1 | Q2TB90 | 4/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.50 |
| ▸ | NSD2 | O96028 | 2/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.50 |
| ▸ | CCR6 | P51684 | 2/20 | 0.50 |
| ▸ | G6PD | P11413 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26982468 | 0.82 | CHRM5 (0.49) | MAPK1CYP1A2CYP2C9HIF1AIDO1 | |
| SCHEMBL29906418 | 0.82 | CHRM5 (0.49) | MAPK1CYP1A2CYP2C9HIF1AIDO1 | |
| SCHEMBL3044017 | 0.79 | HIF1A (0.48) | MAPK1CYP1A2CYP2C9HIF1AIDO1 | |
| SCHEMBL29506228 | 0.77 | CYP1A2 (0.77) | MAPK1CYP1A2CYP2C9HIF1AHKDC1 | |
| SCHEMBL14765070 | 0.77 | CYP1A2 (0.77) | MAPK1CYP1A2CYP2C9HIF1AHKDC1 | |
| SCHEMBL7912380 | 0.77 | TBXAS1 (0.69) | MAPK1CYP1A2CYP2C9HIF1AHKDC1 | |
| SCHEMBL29249557 | 0.77 | MAPK1 (0.56) | MAPK1CYP1A2CYP2C9HIF1ANSD2 | |
| SCHEMBL9627696 | 0.76 | IDO1 (0.60) | MAPK1IDO1DNMT1DNMT3LDNMT3A | |
| SCHEMBL5373335 | 0.76 | CYP1A2 (0.59) | MAPK1CYP1A2CYP2C9HIF1AHKDC1 | |
| SCHEMBL9642148 | 0.74 | IDO1 (0.52) | MAPK1CYP1A2CYP2C9HIF1AIDO1 |
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-2015172076-A1 | NAPHTHAQUINONE METHYLTRANSFERASE INHIBITORS AND USES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2015-11-12 | — | — | WO | disclosed |