Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | EED | O75530 | 2/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | ACP1 | P24666 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9207567 | 0.97 | DRD2 (0.39) | DRD2EEDNAAAPARP1CYP2D6 | |
| SCHEMBL9205660 | 0.87 | GRM5 (0.42) | DRD2EEDPARP1CYP2D6CDK9 | |
| SCHEMBL9740563 | 0.85 | DRD2 (0.39) | DRD2NAAAPARP1CDK9GRM5 | |
| SCHEMBL9213734 | 0.83 | GRM5 (0.41) | DRD2EEDPARP1CYP2D6GRM5 | |
| SCHEMBL9212186 | 0.82 | SMN1; SMN2 (0.48) | DRD2EEDPARP1KCNH2 | |
| SCHEMBL9215737 | 0.82 | DRD2 (0.40) | DRD2NAAAPARP1CDK9GRM5 | |
| SCHEMBL9214577 | 0.80 | KDM4E (0.42) | CYP2D6CDK9GRM5KDM4E | |
| SCHEMBL9204902 | 0.79 | SMN1; SMN2 (0.47) | DRD2KCNH2 | |
| SCHEMBL9207883 | 0.79 | NAAA (0.40) | EEDNAAACYP2D6ACP1KDM4E | |
| SCHEMBL9739351 | 0.78 | ITGB3 (0.36) | DRD2PARP1CDK9GRM5KHK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0224794-B1 | CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION | Dr. Karl Thomae GmbH (DE) | 1990-09-12 | — | — | EP | disclosed |
| EP-0224794-A2 | Cyclic amine derivatives, medicines containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1987-06-10 | — | — | EP | disclosed |