Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2754186 | 0.84 | ALDH1A1 (0.61) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL1185690 | 0.83 | ALDH1A1 (0.76) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL2754178 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL2754162 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL31187018 | 0.82 | NPSR1 (0.47) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL965733 | 0.82 | MEN1 (0.67) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL27042408 | 0.81 | MEN1 (0.71) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL2754184 | 0.81 | ALDH1A1 (0.45) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL2754167 | 0.80 | ALDH1A1 (0.56) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL10917307 | 0.80 | ALDH1A1 (0.70) | ALDH1A1GLATSHRMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |