Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8081122 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TSHRPTGS1PKMLMNA | |
| SCHEMBL16672466 | 0.83 | KMT2A (0.56) | KMT2AALDH1A1TSHRPTGS1PTGS2 | |
| SCHEMBL6040077 | 0.83 | KMT2A (0.49) | KMT2AALDH1A1TSHRMEN1PKM | |
| SCHEMBL28065294 | 0.81 | KMT2A (0.55) | KMT2AALDH1A1TSHRPTGS1PTGS2 | |
| SCHEMBL9675264 | 0.81 | KMT2A (0.55) | KMT2AALDH1A1TSHRMEN1PKM | |
| SCHEMBL27634779 | 0.81 | KMT2A (0.55) | KMT2AALDH1A1TSHRPTGS1PTGS2 | |
| SCHEMBL5458566 | 0.80 | ALDH1A1 (0.58) | KMT2AALDH1A1TSHRMEN1LMNA | |
| SCHEMBL27765337 | 0.80 | GLS (0.53) | KMT2AALDH1A1TSHRPTGS1PTGS2 | |
| SCHEMBL27480709 | 0.80 | KMT2A (0.53) | KMT2AALDH1A1TSHRPTGS1PTGS2 | |
| SCHEMBL16673029 | 0.80 | KMT2A (0.53) | KMT2AALDH1A1MEN1HPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-108250087-A | A kind of synthetic method of 4- isobutoxies benzylamine | 常州大学 | 2018-07-06 | — | — | CN | disclosed |