Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19947615 | 1.00 | KMT2A (0.35) | KMT2ASIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22981731 | 0.86 | HTR2C (0.40) | KMT2AMEN1CYP2C19JAK2JAK1 | |
| Hydrochloric Acid SCHEMBL20168209 | 0.83 | KMT2A (0.40) | KMT2ASIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28785994 | 0.80 | SIGMAR1 (0.42) | KMT2ASIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL81980 | 0.80 | ALDH1A1 (0.39) | ALDH1A1JAK2JAK1 | |
| SCHEMBL1191157 | 0.75 | KMT2A (0.45) | KMT2ASIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1190778 | 0.75 | KMT2A (0.45) | KMT2ASIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28964629 | 0.75 | KMT2A (0.45) | KMT2ASIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27573516 | 0.73 | L3MBTL1 (0.43) | KMT2ASLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL15202304 | 0.73 | KMT2A (0.39) | KMT2ASIGMAR1SLC6A2SLC6A4SLC6A3 |
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-112442029-A | Tetrahydropyrido [3,4-d ] pyrimidine derivative and application thereof in medicine | 四川海思科制药有限公司 | 2021-03-05 | — | — | CN | disclosed |