Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | METAP2 | P50579 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CFD | P00746 | 1/20 | 0.45 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.44 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.44 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.44 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12339916 | 0.92 | ALDH1A1 (0.48) | ALDH1A1METAP2SMN1; SMN2RAB9ACFD | |
| SCHEMBL1287171 | 0.90 | ALDH1A1 (0.54) | ALDH1A1METAP2SMN1; SMN2RAB9ACFD | |
| SCHEMBL21900873 | 0.90 | HSD17B1 (0.46) | ALDH1A1METAP2SMN1; SMN2RAB9ATSHR | |
| SCHEMBL28512310 | 0.88 | ALDH1A1 (0.52) | ALDH1A1METAP2SMN1; SMN2RAB9ACFD | |
| SCHEMBL5549539 | 0.83 | CFD (0.47) | ALDH1A1CFDKLKB1CTSBMMP9 | |
| SCHEMBL26803752 | 0.83 | IKBKB (0.42) | ALDH1A1METAP2SMN1; SMN2RAB9AKLKB1 | |
| SCHEMBL11243095 | 0.83 | ALDH1A1 (0.47) | ALDH1A1METAP2SMN1; SMN2RAB9ACFD | |
| SCHEMBL3388697 | 0.80 | ALDH1A1 (0.52) | ALDH1A1METAP2SMN1; SMN2RAB9ACFD | |
| SCHEMBL8160238 | 0.80 | HSD17B1 (0.44) | ALDH1A1METAP2RAB9ATSHRMEN1 | |
| SCHEMBL3385017 | 0.80 | ALDH1A1 (0.52) | ALDH1A1METAP2SMN1; SMN2RAB9AKLKB1 |
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-111909133-A | Substituted 1-amino-1H-imidazole-5-carboxamides as brunauer tyrosine kinase inhibitors | 河南师范大学 | 2020-11-10 | — | — | CN | disclosed |