Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7784325 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1ATMPDE7A | |
| SCHEMBL602423 | 0.80 | TDP1 (0.53) | ALDH1A1CYP3A4TDP1ATMPDE7A | |
| SCHEMBL7787972 | 0.80 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TDP1ATMPDE7A | |
| SCHEMBL631164 | 0.78 | ALDH1A1 (0.63) | ALDH1A1CYP3A4TDP1ATMPDE7A | |
| SCHEMBL3296412 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TDP1ATMPDE7A | |
| SCHEMBL27986558 | 0.77 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TDP1PDE7ACTSB | |
| SCHEMBL30419445 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TDP1ATMPDE7A | |
| SCHEMBL4704860 | 0.77 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TDP1ATMPDE7A | |
| SCHEMBL4707083 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TDP1ATMPDE7A | |
| SCHEMBL8902847 | 0.74 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TDP1ATMPDE7A |
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-104003979-B | Benzimidazolyl-2 radicals-piperazine compounds, its pharmaceutical composition and its production and use | 上海汇伦生命科技有限公司 | 2016-08-17 | — | — | CN | disclosed |