Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL5450723 | 0.84 | OPRD1 (0.38) | CYP2D6CYP3A4OPRD1OPRM1OPRK1 | |
| SCHEMBL5458868 | 0.84 | OPRD1 (0.38) | CYP2D6CYP3A4OPRD1OPRM1OPRK1 | |
| SCHEMBL30642715 | 0.84 | OPRD1 (0.38) | CYP2D6CYP3A4OPRD1OPRM1OPRK1 | |
| SCHEMBL5458873 | 0.84 | OPRD1 (0.38) | CYP2D6CYP3A4OPRD1OPRM1OPRK1 | |
| SCHEMBL2849250 | 0.81 | OPRD1 (0.36) | CYP2D6CYP3A4OPRD1ALOX15TSHR | |
| SCHEMBL2849251 | 0.81 | OPRD1 (0.36) | CYP2D6CYP3A4OPRD1ALOX15TSHR | |
| SCHEMBL2850422 | 0.81 | OPRD1 (0.36) | CYP2D6CYP3A4OPRD1ALOX15TSHR | |
| SCHEMBL5744342 | 0.79 | CYP2D6 (0.39) | CYP2D6CYP3A4OPRD1OPRM1OPRK1 | |
| SCHEMBL5744958 | 0.74 | CYP2D6 (0.42) | CYP2D6CYP3A4OPRD1OPRM1OPRL1 | |
| SCHEMBL27262604 | 0.74 | DPP4 (0.38) | CYP2D6CYP3A4OPRD1OPRM1OPRK1 |
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-2022271612-A1 | HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER | BLUEPRINT MEDICINES CORPORATION (US) | 2022-12-29 | — | — | WO | disclosed |