Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL85392 | 0.84 | OPRM1 (0.48) | CYP2D6SLC6A9CHRM2CHRM4CHRM5 | |
| SCHEMBL1130577 | 0.84 | SLC6A9 (0.43) | MAPK1SLC6A9OPRM1SCN9ASCN7A | |
| SCHEMBL1122107 | 0.80 | SCN9A (0.47) | CYP2D6CYP3A4ALOX15TSHRCYP2C19 | |
| SCHEMBL16759363 | 0.79 | SLC6A9 (0.46) | CYP2D6SLC6A9CHRM2CHRM4CHRM5 | |
| SCHEMBL2031016 | 0.78 | CYP2D6 (0.49) | CYP2D6CYP3A4ALOX15TSHRCYP2C19 | |
| SCHEMBL8573441 | 0.78 | LMNA (0.48) | CYP2D6CHRM2CHRM4CHRM1OPRM1 | |
| SCHEMBL1121906 | 0.78 | KMT2A (0.43) | MAPK1OPRM1SCN9ASCN7ASCN5A | |
| SCHEMBL1121697 | 0.77 | SCN9A (0.40) | MAPK1SLC6A9OPRM1SCN9ASCN7A | |
| SCHEMBL27262604 | 0.76 | DPP4 (0.38) | CYP2D6CYP3A4ALOX15TSHRCYP2C19 | |
| SCHEMBL5745379 | 0.75 | CYP2D6 (0.47) | CYP2D6CYP3A4ALOX15TSHRCYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022271613-A1 | HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER | BLUEPRINT MEDICINES CORPORATION (US) | 2022-12-29 | — | — | WO | disclosed |
| CN-1278530-A | Novel peptide derivative | ASTRA AB (SE) | 2001-01-03 | — | — | CN | disclosed |