Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.48 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.44 |
| ▸ | MELK | Q14680 | 2/20 | 0.44 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | YES1 | P07947 | 1/20 | 0.43 |
| ▸ | RET | P07949 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.43 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL19918059 | 0.85 | NR1H2 (0.52) | NR1H2MKNK1MKNK2MELKDDR1 | |
| SCHEMBL15371491 | 0.85 | NR1H2 (0.67) | NR1H2DDR1ABL1CYP3A4LMNA | |
| SCHEMBL21709585 | 0.84 | NR1H2 (0.51) | NR1H2DDR1ABL1LMNATACR1 | |
| SCHEMBL21480393 | 0.84 | NR1H2 (0.51) | NR1H2DDR1LMNATACR1ALDH1A1 | |
| SCHEMBL20687056 | 0.84 | MLNR (0.47) | NR1H2ABL1LMNAHTR2CTACR1 | |
| SCHEMBL17320454 | 0.82 | NR1H2 (0.51) | NR1H2MKNK1MKNK2MELKDDR1 | |
| SCHEMBL20075993 | 0.81 | POLB (0.64) | NR1H2ABL1CYP3A4HTR6ALDH1A1 | |
| SCHEMBL20884934 | 0.80 | LMNA (0.56) | LMNASLC6A4CYP1A2CHRM2OPRD1 | |
| SCHEMBL1782464 | 0.80 | GPR183 (0.52) | NR1H2MKNK1MKNK2MELKDDR1 | |
| SCHEMBL19914934 | 0.80 | NR1H2 (0.49) | NR1H2MKNK1MKNK2MELKDDR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018039467-A1 | INHIBITORS OF-BCR-ABL MUTANTS AND USE THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2018-03-01 | — | — | WO | disclosed |