Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | NPC1 | O15118 | 6/20 | 0.57 |
| ▸ | RAB9A | P51151 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | XBP1 | P17861 | 1/20 | 0.57 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.57 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6858071 | 0.92 | CYP1A2 (0.56) | CYP1A2HPGDCYP2C19MEN1KMT2A | |
| SCHEMBL9168941 | 0.90 | MAPT (0.59) | CYP1A2HPGDCYP2C19MEN1KMT2A | |
| SCHEMBL8645476 | 0.89 | GPR35 (0.68) | CYP1A2HPGDCYP2C19MEN1KMT2A | |
| SCHEMBL13741589 | 0.87 | CYP1A2 (0.56) | CYP1A2HPGDCYP2C19MEN1KMT2A | |
| SCHEMBL10458447 | 0.86 | KDM4E (0.72) | CYP1A2HPGDCYP2C19MEN1KMT2A | |
| SCHEMBL31598560 | 0.86 | CYP1A2 (0.55) | CYP1A2HPGDCYP2C19MEN1KMT2A | |
| SCHEMBL10718727 | 0.86 | CYP1A2 (0.55) | CYP1A2HPGDCYP2C19MEN1KMT2A | |
| SCHEMBL7779068 | 0.84 | CYP1A2 (0.53) | CYP1A2HPGDCYP2C19MEN1KMT2A | |
| SCHEMBL11125068 | 0.84 | CYP1A2 (0.53) | CYP1A2HPGDCYP2C19MEN1KMT2A | |
| SCHEMBL11786602 | 0.84 | ALDH1A1 (0.53) | CYP1A2HPGDCYP2C19MEN1KMT2A |
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 |