Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 2/20 | 0.36 |
| ▸ | SUV39H2 | Q9H5I1 | 5/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 1/20 | 0.32 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5101441 | 0.87 | PDK4 (0.48) | PDE10AJAK1 | |
| SCHEMBL22119718 | 0.75 | QDPR (0.38) | QDPRSUV39H2TDP1PDE10ACCNT1 | |
| SCHEMBL16875073 | 0.73 | BTK (0.41) | — | |
| SCHEMBL16875075 | 0.73 | BTK (0.41) | — | |
| SCHEMBL4219836 | 0.73 | PDK4 (0.46) | PDE10AJAK1 | |
| SCHEMBL16992066 | 0.71 | PDE10A (0.46) | PDE10ACCNT1CDK9 | |
| SCHEMBL6812301 | 0.70 | SLC6A4 (0.44) | — | |
| SCHEMBL4335947 | 0.69 | QDPR (0.48) | QDPRCCNT1CDK9MAPT | |
| SCHEMBL22119654 | 0.68 | QDPR (0.38) | QDPRSUV39H2TDP1MAPT | |
| SCHEMBL16422788 | 0.68 | SUV39H2 (0.40) | QDPRSUV39H2TDP1MAPTSCD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013214-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007131020-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |