Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.57 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.57 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.57 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.57 |
| ▸ | CNR2 | P34972 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | DHODH | Q02127 | 1/20 | 0.53 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6855309 | 0.94 | PDK1 (0.53) | NPC1RAB9APDK1PDK2PDK3 | |
| SCHEMBL14397793 | 0.90 | CYP2C19 (0.58) | NPC1RAB9APDK1PDK2PDK3 | |
| SCHEMBL505353 | 0.87 | CYP2C19 (0.69) | NPC1RAB9APDK1PDK2PDK3 | |
| SCHEMBL29808973 | 0.87 | CYP2C19 (0.69) | NPC1RAB9APDK1PDK2PDK3 | |
| SCHEMBL18415571 | 0.87 | ALDH1A1 (0.50) | NPC1RAB9APDK1PDK2PDK3 | |
| SCHEMBL2943260 | 0.85 | PDK1 (0.56) | NPC1RAB9APDK1PDK2PDK3 | |
| SCHEMBL2837597 | 0.85 | POLB (0.56) | NPC1RAB9APDK1PDK2PDK3 | |
| SCHEMBL27644581 | 0.85 | PDK1 (0.56) | NPC1RAB9APDK1PDK2PDK3 | |
| SCHEMBL6428947 | 0.84 | PDK1 (0.51) | NPC1RAB9APDK1PDK2PDK3 | |
| SCHEMBL28879810 | 0.83 | PDK1 (0.54) | NPC1RAB9APDK1PDK2PDK3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6737193-B2 | ACTIVE MATERIALS IN THE POSITIVE ELECTRODES OF BATTERIES. NOVEL METHODS FOR PREPARING THE TETRAKETOPIPERAZINE UNIT-CONTAINING COMPOUNDS INCLUDE: (I) REACTING AN OXALYL HALIDE AND AN OXAMIDE, AND ADDING WATER OR AN AQUEOUS ALKALI | IM&T RESEARCH, INC. | 2004-05-18 | — | — | US | disclosed |
| US-20030148188-A1 | Active materials in the positive electrodes of batteries. Novel methods for preparing the tetraketopiperazine unit-containing compounds include: (i) reacting an oxalyl halide and an oxamide, and adding water or an aqueous alkali | IM&T RESEARCH, INC. | 2003-08-07 | — | — | US | disclosed |