Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.71 |
| ▸ | CCND1 | P24385 | 4/20 | 0.71 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.67 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.63 |
| ▸ | DRD2 | P14416 | 1/20 | 0.61 |
| ▸ | DRD4 | P21917 | 1/20 | 0.61 |
| ▸ | DRD3 | P35462 | 1/20 | 0.61 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.60 |
| ▸ | FPR3 | P25089 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30102639 | 1.00 | CDK4 (0.71) | CDK4CCND1ABCB1SIGMAR1DRD2 | |
| SCHEMBL3989584 | 0.98 | CDK4 (0.73) | CDK4CCND1ABCB1SIGMAR1DRD2 | |
| SCHEMBL9776034 | 0.95 | CDK4 (0.72) | CDK4CCND1ABCB1SIGMAR1DRD2 | |
| SCHEMBL3990196 | 0.95 | CDK4 (0.73) | CDK4CCND1ABCB1SIGMAR1DRD2 | |
| SCHEMBL9776119 | 0.94 | CDK4 (0.74) | CDK4CCND1ABCB1SIGMAR1DRD2 | |
| SCHEMBL12543448 | 0.90 | CDK4 (0.69) | CDK4CCND1ABCB1SIGMAR1DRD2 | |
| SCHEMBL3990185 | 0.88 | CDK4 (0.71) | CDK4CCND1ABCB1SIGMAR1DRD2 | |
| SCHEMBL29780338 | 0.88 | CDK4 (0.71) | CDK4CCND1ABCB1SIGMAR1DRD2 | |
| SCHEMBL12605565 | 0.84 | CDK4 (0.67) | CDK4CCND1ABCB1SIGMAR1DRD2 | |
| SCHEMBL8471498 | 0.82 | DRD2 (0.63) | CDK4CCND1ABCB1SIGMAR1DRD2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7943616-B2 | Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders | AVENTIS PHARMACEUTICALS INC. (US) | 2011-05-17 | — | — | US | disclosed |
| EP-2065382-A1 | CGRP antagonists | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2009-06-03 | — | — | EP | disclosed |
| EP-2065382-A1 | CGRP antagonists | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2009-06-03 | — | — | EP | disclosed |
| WO-2009050235-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |