Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 9/20 | 0.49 |
| ▸ | CNR2 | P34972 | 8/20 | 0.49 |
| ▸ | PDE2A | O00408 | 3/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13769679 | 0.91 | CNR1 (0.49) | CNR1CNR2PDE2APDE10ABTK | |
| SCHEMBL4009217 | 0.83 | PDE2A (0.46) | CNR1CNR2PDE2APDE10ABTK | |
| SCHEMBL4013415 | 0.82 | LMNA (0.39) | CNR1CNR2PDE2AKMT2ATP53 | |
| SCHEMBL4010459 | 0.82 | MAPT (0.41) | CNR1CNR2KMT2ATP53MAPT | |
| SCHEMBL4007954 | 0.82 | MAPT (0.40) | CNR1CNR2PDE2AKMT2ATP53 | |
| Lithium SCHEMBL4007964 | 0.82 | MAPT (0.40) | CNR1CNR2PDE2AKMT2ATP53 | |
| SCHEMBL4006053 | 0.78 | LMNA (0.47) | CNR1CNR2KMT2ATP53MAPT | |
| Lithium Ion SCHEMBL4007958 | 0.74 | MAPT (0.38) | CNR1CNR2PDE2APDE10AKMT2A | |
| SCHEMBL13770196 | 0.74 | MAPT (0.44) | CNR1CNR2KMT2ATP53MAPT | |
| SCHEMBL13769540 | 0.74 | CNR1 (0.40) | CNR1CNR2KMT2ATP53MAPT |
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-2009080682-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |