Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 16/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.46 |
| ▸ | HTR7 | P34969 | 4/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | CCNC | P24863 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18047341 | 0.91 | HTR6 (0.43) | CYP3A4CYP2D6HTR6DRD2HTR7 | |
| Hydrochloric Acid SCHEMBL20994625 | 0.90 | HTR6 (0.44) | CYP3A4CYP2D6HTR6DRD2HTR7 | |
| SCHEMBL20678181 | 0.86 | HTR6 (0.42) | CYP3A4CYP2D6HTR6DRD2HTR7 | |
| SCHEMBL19040138 | 0.81 | CDK7 (0.52) | CYP3A4CYP2D6HTR6DRD2HTR7 | |
| SCHEMBL17150588 | 0.81 | CDK7 (0.52) | CYP3A4CYP2D6HTR6DRD2HTR7 | |
| SCHEMBL17140747 | 0.81 | CDK7 (0.52) | CYP3A4CYP2D6HTR6DRD2HTR7 | |
| SCHEMBL28348955 | 0.80 | HTR6 (0.43) | CYP3A4CYP2D6HTR6DRD2HTR7 | |
| SCHEMBL19054640 | 0.79 | HTR6 (0.58) | CYP3A4CYP2D6HTR6DRD2HTR7 | |
| SCHEMBL6039811 | 0.79 | HTR6 (0.56) | CYP3A4CYP2D6HTR6DRD2HTR7 | |
| SCHEMBL29429815 | 0.79 | HTR6 (0.56) | CYP3A4CYP2D6HTR6DRD2HTR7 |
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-3126352-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | Syros Pharmaceuticals, Inc. (US) | 2017-02-08 | — | — | EP | disclosed |
| WO-2015154039-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | SYROS PHARMACEUTICALS, INC. (US) | 2015-10-08 | — | — | WO | disclosed |