Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 16/20 | 0.40 |
| ▸ | DRD2 | P14416 | 5/20 | 0.37 |
| ▸ | HTR7 | P34969 | 5/20 | 0.37 |
| ▸ | HTR2A | P28223 | 4/20 | 0.37 |
| ▸ | CDK7 | P50613 | 3/20 | 0.37 |
| ▸ | CCNH | P51946 | 2/20 | 0.37 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20549548 | 0.92 | CDK7 (0.46) | HTR6CDK7CCNHMNAT1CCNT1 | |
| SCHEMBL16654802 | 0.81 | CDK7 (0.42) | HTR6DRD2HTR7HTR2ACDK7 | |
| SCHEMBL18047287 | 0.81 | CDK7 (0.51) | HTR6DRD2HTR7HTR2ACDK7 | |
| SCHEMBL18047285 | 0.81 | CDK7 (0.51) | HTR6DRD2HTR7HTR2ACDK7 | |
| SCHEMBL17688360 | 0.78 | CDK7 (0.46) | HTR6DRD2HTR7HTR2ACDK7 | |
| SCHEMBL17688376 | 0.78 | CDK7 (0.45) | HTR6DRD2HTR7HTR2ACDK7 | |
| SCHEMBL20549312 | 0.77 | CCNT1 (0.47) | HTR6DRD2HTR7HTR2ACDK7 | |
| SCHEMBL28348915 | 0.76 | CDK7 (0.46) | HTR6DRD2HTR7HTR2ACDK7 | |
| SCHEMBL28348918 | 0.76 | CDK7 (0.46) | HTR6DRD2HTR7HTR2ACDK7 | |
| SCHEMBL20994616 | 0.76 | CDK7 (0.46) | HTR6CDK7CCNHMNAT1CCNT1 |
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-3057956-A1 | POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | Dana-Farber Cancer Institute, Inc. (US) | 2016-08-24 | — | — | EP | disclosed |
| WO-2015058140-A1 | POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2015-04-23 | — | — | WO | disclosed |