Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1954828 | 0.82 | ALOX5 (0.47) | ALDH1A1TSHRALOX5TRPM8LMNA | |
| SCHEMBL21551502 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TSHRTRPM8LMNACES2 | |
| SCHEMBL1270501 | 0.77 | NPSR1 (0.58) | ALDH1A1TSHRTRPM8SMN1; SMN2RAB9A | |
| SCHEMBL9547650 | 0.77 | NPSR1 (0.56) | ALDH1A1TSHRTRPM8LMNACES2 | |
| SCHEMBL11030370 | 0.76 | ALOX5 (0.46) | ALDH1A1TSHRALOX5TRPM8LMNA | |
| SCHEMBL6037486 | 0.75 | ACHE (0.52) | ALDH1A1TSHRALOX5TRPM8LMNA | |
| SCHEMBL77003 | 0.75 | TRPM8 (0.53) | ALDH1A1TSHRALOX5TRPM8LMNA | |
| SCHEMBL77001 | 0.75 | TRPM8 (0.53) | ALDH1A1TSHRALOX5TRPM8LMNA | |
| SCHEMBL5933542 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TSHRTRPM8LMNACES2 | |
| SCHEMBL5933533 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRTRPM8LMNACES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104151220-A | N,N'-dialkyl dithiooxamide as well as preparation method and application thereof | HUNAN CHEMAPI BIOLOG TECHNOLOGY CO LTD | 2014-11-19 | — | — | CN | disclosed |
| 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 |