Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 11/20 | 0.75 |
| ▸ | NPC1 | O15118 | 9/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.75 |
| ▸ | MEN1 | O00255 | 3/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.72 |
| ▸ | HTT | P42858 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.55 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.55 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.55 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6851008 | 0.92 | RAB9A (0.64) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL440095 | 0.89 | RAB9A (0.67) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL7098684 | 0.87 | RAB9A (0.64) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL29179553 | 0.87 | RAB9A (0.64) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL30851501 | 0.86 | RAB9A (1.00) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11202950 | 0.86 | RAB9A (1.00) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL29179687 | 0.86 | RAB9A (0.62) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL31598589 | 0.86 | RAB9A (0.62) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL157188 | 0.84 | RAB9A (0.72) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL29757931 | 0.84 | RAB9A (0.72) | RAB9ANPC1SMN1; SMN2MEN1KMT2A |
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 |